data_2jrx_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 2jrx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 HG23 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD13 ' HG ' ' A' ' 33' ' ' SER . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.473 ' HG ' HD13 ' A' ' 23' ' ' LEU . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG22 HG11 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.421 HG21 ' HG ' ' B' ' 68' ' ' SER . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG22 ' B' ' 12' ' ' VAL . 29.2 p . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.485 HG11 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG21 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.476 ' O ' HG22 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.501 HG23 HG11 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.513 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.532 HG21 HD13 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.532 HD13 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.495 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.421 ' HG ' HG21 ' A' ' 42' ' ' THR . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG12 HG23 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG22 HD11 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.457 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.539 HD22 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' HB3' HG12 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.473 HG23 HG12 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.517 HD11 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 65' ' ' LEU . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.43 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.654 ' HA ' HG23 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.654 HG23 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG23 HD12 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HG22 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.598 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG21 ' B' ' 12' ' ' VAL . 33.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.3 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.492 HG21 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.529 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.562 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.562 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.544 HG22 HD11 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HZ2' ' CD ' ' B' ' 18' ' ' GLU . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 HG22 ' B' ' 42' ' ' THR . 61.4 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.467 ' O ' HG22 ' B' ' 12' ' ' VAL . 45.8 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 32' ' ' LEU . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.412 ' O ' HG21 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.504 HG22 HG11 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.476 HG13 ' H2 ' ' B' ' 50' ' ' ALA . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' H2 ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.483 ' O ' HG12 ' B' ' 57' ' ' ILE . 24.4 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 58' ' ' ALA . 58.1 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.705 0.288 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' HG13 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG23 HD22 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm . . . . . 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.614 0.245 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.49 HD22 HG23 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' HG2' HG21 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.533 HG13 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 32' ' ' LEU . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' HD13 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.445 ' HG3' HG21 ' A' ' 69' ' ' ILE . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.516 HG13 HG23 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' HD21 ' A' ' 32' ' ' LEU . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' LEU . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 HD23 HG22 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.619 ' HB2' HG21 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.483 0.182 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.438 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.438 HG21 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.52 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' HG21 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.439 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.587 ' HA ' HD11 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.501 HD13 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 HG23 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.731 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 14.1 tt . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG21 ' B' ' 12' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 8.4 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 7.5 m120 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.558 HD12 ' HG ' ' B' ' 33' ' ' SER . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.505 ' HB2' HD21 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.558 ' HG ' HD12 ' B' ' 23' ' ' LEU . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.507 HG23 HG11 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.482 ' O ' HG21 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' B' ' 46' ' ' ASN . 5.9 m120 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.532 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.532 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.405 ' HB2' HD11 ' A' ' 69' ' ' ILE . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 HD21 HD23 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD13 HG23 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.941 ' HA ' HD11 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 78.4 mm-40 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.391 0.615 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.491 HG13 HG23 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG21 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.472 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.633 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.633 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 120.355 0.122 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG21 HG22 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG23 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.488 HG23 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HB2' HG21 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.478 ' HB2' HG22 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.554 0.216 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.503 HD12 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.503 HD11 HD12 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.652 ' HB2' ' HZ1' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.446 HD13 HG23 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.478 HG22 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.432 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.507 HG22 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.507 HG13 HG22 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG13 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 HG11 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.767 HD22 HG12 ' B' ' 69' ' ' ILE . 32.7 m-80 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.454 HG11 HG23 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HG21 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.41 HG21 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.456 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.455 HG13 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.693 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD13 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.483 ' HB2' HG23 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.767 HG12 HD22 ' A' ' 46' ' ' ASN . 52.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.677 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.677 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.623 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.528 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.979 0.418 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.535 ' O ' HG22 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.645 HG21 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.528 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.645 HG13 HG21 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.464 HD12 HG22 ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HG22 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG21 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.614 ' HG ' HD22 ' B' ' 44' ' ' LEU . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.494 HG21 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.42 ' HE1' HD22 ' B' ' 20' ' ' LEU . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' HG ' ' B' ' 68' ' ' SER . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB1' ' OE1' ' A' ' 53' ' ' GLN . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' OE1' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' B' ' 58' ' ' ALA . 64.6 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.488 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.42 HD22 ' HE1' ' A' ' 40' ' ' MET . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' B' ' 33' ' ' SER . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.679 ' HG ' HD11 ' B' ' 23' ' ' LEU . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.487 HG22 HD22 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.507 ' O ' HG21 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.507 HG21 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.614 HD22 ' HG ' ' A' ' 33' ' ' SER . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.737 HG12 HD11 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.737 HD11 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.525 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.525 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.418 ' HG ' HG23 ' A' ' 42' ' ' THR . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.606 0.241 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 HG22 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 HG23 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD13 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 1.026 ' HA ' HD11 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 1.026 HD11 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG21 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 HG23 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.462 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.489 ' HG2' ' HB2' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.45 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' HD22 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' HD2' ' A' ' 29' ' ' PRO . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 HG23 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG22 HD12 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.495 HG23 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.495 HG13 HG23 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.559 0.218 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 21' ' ' ASN . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.506 HD12 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.8 HG22 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.8 HD12 HG22 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.451 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' H2 ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 8.5 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 HG12 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.554 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.476 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.487 HG12 HG21 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.431 ' O ' HG22 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.491 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.439 HD13 HD12 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.587 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 0.9 OUTLIER -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.26 0.076 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.687 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.87 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.544 HG22 HD11 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.418 HE21 HG13 ' A' ' 49' ' ' ILE . 5.2 pm0 -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.491 ' HA ' HG23 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HG22 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.691 0.282 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.704 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.584 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.562 ' H2 ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.426 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.704 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.702 HE21 ' HA ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.584 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.491 HG23 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.528 0.204 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' HD23 ' B' ' 32' ' ' LEU . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD12 HG12 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.702 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 33' ' ' SER . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.702 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HG ' HD21 ' A' ' 23' ' ' LEU . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.694 HG12 HD11 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.517 ' HA ' HD11 ' A' ' 49' ' ' ILE . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.663 HD22 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.523 HE21 ' HB1' ' B' ' 58' ' ' ALA . 1.6 mp0 -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG22 ' B' ' 42' ' ' THR . 70.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.675 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.675 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB3' HD21 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.444 HG22 HD12 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.567 HD12 HD12 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.567 HD12 HD12 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.523 ' HB1' HE21 ' A' ' 66' ' ' GLN . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 46' ' ' ASN . 56.5 mt . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.74 HG21 HG22 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD21 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 HG23 HG12 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.818 HG23 HD13 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.818 HD13 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.964 0.411 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG21 ' B' ' 47' ' ' THR . 12.6 m120 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.777 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.47 HG21 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.534 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.777 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.426 HD12 HG22 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' HG ' ' A' ' 33' ' ' SER . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.688 ' HG ' HD11 ' A' ' 23' ' ' LEU . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.59 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.599 HD22 HG23 ' B' ' 69' ' ' ILE . 11.4 m120 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.575 ' HB2' HE22 ' B' ' 66' ' ' GLN . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.527 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.695 HG12 HD22 ' B' ' 46' ' ' ASN . 70.0 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.466 ' CD ' ' H2 ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 9.3 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 26' ' ' HIS . 41.3 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.424 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.443 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 18' ' ' GLU . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.498 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.695 HD22 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.43 HD13 HG23 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.575 HE22 ' HB2' ' A' ' 58' ' ' ALA . 25.0 mm-40 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 46' ' ' ASN . 69.1 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.523 -0.076 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD21 HG22 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.704 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HD22 ' B' ' 46' ' ' ASN . 15.1 tt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.374 0.13 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' HG21 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.45 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HZ3' ' CD ' ' A' ' 18' ' ' GLU . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.466 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 HD21 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.69 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.711 HD22 HG13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HB3' ' HG2' ' B' ' 53' ' ' GLN . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.478 HH11 ' HG3' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.478 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.536 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 1.0 OUTLIER -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.92 -172.76 1.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.477 2.118 . . . . 0.0 112.154 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -130.74 157.79 41.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.2 mp -73.83 -39.94 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 0.0 110.08 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -83.66 44.77 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.125 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.62 ' HA ' ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -77.12 17.15 0.48 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.721 -177.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.0 93.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' O ' HG22 ' A' ' 12' ' ' VAL . 51.8 m 60.64 29.26 18.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.845 -175.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.62 ' HB3' ' HA ' ' A' ' 6' ' ' ARG . 11.1 p-10 -50.19 -40.2 46.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.988 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 HG23 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD13 ' HG ' ' A' ' 33' ' ' SER . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.473 ' HG ' HD13 ' A' ' 23' ' ' LEU . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG22 HG11 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.421 HG21 ' HG ' ' B' ' 68' ' ' SER . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.37 97.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -139.64 -161.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.742 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.9 146.53 37.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.76 94.8 2.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HE2' ' O ' ' A' ' 75' ' ' HIS . 78.4 tttt 70.26 138.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.047 0.842 . . . . 0.0 111.664 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.13 -7.35 23.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.941 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.623 ' O ' ' HE2' ' A' ' 73' ' ' LYS . 33.9 m-70 -136.84 114.81 11.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.612 0.244 . . . . 0.0 110.733 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.65 112.6 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.092 0.472 . . . . 0.0 110.784 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CD ' ' H2 ' ' A' ' 78' ' ' HIS . 0.9 OUTLIER -78.25 162.23 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.429 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' H2 ' ' CD ' ' A' ' 77' ' ' GLU . 74.6 m-70 -60.97 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.287 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 81.7 t60 58.79 98.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.757 0.661 . . . . 0.0 111.555 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -75.46 64.16 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.321 0.582 . . . . 0.0 112.153 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -169.96 111.44 0.44 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.005 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -84.58 -73.14 0.44 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.262 175.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -49.73 131.68 29.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.639 2.226 . . . . 0.0 111.368 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.432 ' H2 ' ' CD ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -59.68 -46.66 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.021 -173.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -179.27 -28.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 142.76 57.72 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.262 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -123.76 27.36 7.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.495 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -100.54 -77.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.545 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG22 ' B' ' 12' ' ' VAL . 29.2 p -174.73 98.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.251 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.485 HG11 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG21 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.476 ' O ' HG22 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.501 HG23 HG11 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.513 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.532 HG21 HD13 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.532 HD13 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.495 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.421 ' HG ' HG21 ' A' ' 42' ' ' THR . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt -75.19 88.04 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.6 134.63 44.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.612 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.16 -61.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.873 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -154.55 172.27 18.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -64.58 104.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.345 0.403 . . . . 0.0 109.939 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -31.55 68.17 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.453 0.471 . . . . 0.0 111.333 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -81.55 106.18 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.02 105.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.68 125.03 22.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.045 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -77.85 67.98 3.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -112.04 113.91 26.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.293 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -74.22 97.31 2.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.493 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -138.7 109.69 6.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -98.14 155.97 16.9 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 34.2 m170 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.092 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 87.4 mtp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 14.1 Cg_exo -71.21 -31.77 13.95 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.771 2.314 . . . . 0.0 112.632 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.47 150.35 21.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.15 102.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 65.87 -72.15 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.039 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 22.3 ttt180 -164.81 18.93 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.557 0.694 . . . . 0.0 109.631 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.65 178.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -110.79 157.57 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.124 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.54 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.683 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG12 HG23 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG22 HD11 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.457 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.539 HD22 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 HD11 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.34 -48.98 45.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.06 122.48 6.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.644 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.673 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . 6.1 pt-20 -90.22 130.76 36.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.888 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -94.12 -10.14 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.673 ' HG2' ' HB2' ' A' ' 71' ' ' GLU . 20.9 ptmt -56.14 149.92 15.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.793 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.025 0.44 . . . . 0.0 111.509 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -127.74 27.3 5.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.668 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.3 mt -76.51 -39.13 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.83 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' CD ' ' HD1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -156.76 -172.06 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.644 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -131.02 80.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.768 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.441 ' HD1' ' CD ' ' A' ' 77' ' ' GLU . 39.2 p-80 -85.73 135.12 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -86.04 120.62 27.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -66.76 -41.67 87.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.475 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -68.9 123.4 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.775 179.135 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.14 147.94 80.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.688 2.259 . . . . 0.0 112.267 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 70.03 -1.25 2.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.333 0.653 . . . . 0.0 111.495 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt 70.87 -56.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.387 0.675 . . . . 0.0 111.509 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -146.78 -60.23 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.414 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -146.87 -45.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.184 0.516 . . . . 0.0 111.654 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -96.89 140.88 30.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.318 -161.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -83.52 147.22 27.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.25 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.827 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' HB3' HG12 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.473 HG23 HG12 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.517 HD11 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.42 HG23 HD11 ' A' ' 65' ' ' LEU . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.43 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.43 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.654 ' HA ' HG23 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.457 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.654 HG23 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt -71.79 -33.81 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -127.16 99.32 5.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.438 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.73 100.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 111.114 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.2 85.67 2.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -141.45 91.27 2.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.84 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.84 109.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.958 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -109.64 124.75 51.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.879 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.9 -167.48 1.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.472 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.6 141.6 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -70.61 105.32 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.065 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -126.04 2.82 7.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.851 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 74.0 108.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.482 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -83.56 45.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.899 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -169.28 141.07 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.933 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.751 179.54 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.497 0.189 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.08 148.67 45.12 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.648 2.232 . . . . 0.0 111.309 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -85.78 132.86 34.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.805 0.336 . . . . 0.0 110.152 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.85 -19.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 66.14 -168.95 0.2 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.577 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -165.28 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 110.212 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -75.32 163.78 27.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.581 -177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.2 t -79.39 133.24 36.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.435 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.01 -28.09 64.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG23 HD12 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HG22 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.598 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt -86.22 104.4 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 65.61 88.21 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.965 0.791 . . . . 0.0 109.305 -171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.83 119.2 6.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.113 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.53 119.08 13.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.877 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -130.91 91.64 3.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.76 173.57 11.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.975 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -130.25 161.53 30.98 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.9 tp -128.17 126.57 41.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.168 0.508 . . . . 0.0 111.446 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -150.23 143.73 25.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.791 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -104.11 110.47 22.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.313 . . . . 0.0 110.292 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -76.65 161.94 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -81.06 131.36 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.659 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -147.35 17.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.641 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -132.94 117.71 17.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.419 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.729 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 20.4 Cg_exo -65.12 99.01 0.33 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.904 2.402 . . . . 0.0 112.808 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -134.96 -178.61 5.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.044 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -162.46 150.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.161 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 113.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -30.2 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -116.94 174.19 6.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.882 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG21 ' B' ' 12' ' ' VAL . 33.0 t -58.5 116.03 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.492 HG21 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.446 HD12 HG23 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.529 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.593 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.562 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.562 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.544 HG22 HD11 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt -67.02 -55.28 18.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.31 149.04 29.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.477 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.87 175.5 7.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.867 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -133.68 168.12 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.692 0.758 . . . . 0.0 109.043 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.03 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.674 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -129.8 146.5 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.21 86.54 1.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.216 0.531 . . . . 0.0 109.985 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.58 107.24 12.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.244 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.06 -20.16 56.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.025 -169.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 179.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 110.95 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -130.62 119.82 23.05 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -110.44 77.11 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.897 0.856 . . . . 0.0 110.26 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -168.3 131.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.815 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.549 176.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.709 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 29.0 Cg_endo -64.59 -179.53 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.967 1.778 . . . . 0.0 111.018 171.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.11 77.58 7.99 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.93 83.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 122.084 0.945 . . . . 0.0 111.792 -175.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -84.04 163.55 19.82 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.683 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 2.6 mpt_? -76.19 -2.46 31.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.251 0.548 . . . . 0.0 110.546 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -112.07 -81.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.692 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -156.62 135.74 11.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.995 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.51 -48.31 77.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HZ2' ' CD ' ' B' ' 18' ' ' GLU . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 HG22 ' B' ' 42' ' ' THR . 61.4 mt -77.52 87.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -167.64 121.03 0.93 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.632 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.56 16.52 13.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.344 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 70.25 -61.72 0.45 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.231 0.957 . . . . 0.0 110.955 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 37.0 ttpt -171.61 133.16 0.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 124.3 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.452 0.47 . . . . 0.0 110.185 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.95 101.77 5.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.217 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.2 tp -99.71 107.79 19.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.854 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.14 -13.28 44.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.312 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -67.66 106.26 2.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.079 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -77.71 131.34 37.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.663 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -155.11 117.64 4.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.544 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -95.8 148.83 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -105.96 153.0 22.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.639 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.783 176.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -86.56 155.52 9.1 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.7 2.267 . . . . 0.0 112.987 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -90.22 101.77 14.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.624 HD11 ' H2 ' ' B' ' 4' ' ' ILE . 3.6 mp -52.13 110.0 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.21 0 O-C-N 123.597 0.56 . . . . 0.0 110.466 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.488 ' HG ' HG21 ' B' ' 12' ' ' VAL . 45.1 t -85.88 156.72 20.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.776 -176.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -79.39 -18.34 52.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.478 0.656 . . . . 0.0 109.331 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -112.67 179.77 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.41 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.467 ' O ' HG22 ' B' ' 12' ' ' VAL . 45.8 t -65.88 123.3 19.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.488 HG21 ' HG ' ' B' ' 5' ' ' SER . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CD ' ' HZ2' ' A' ' 25' ' ' LYS . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.412 ' O ' HG21 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.504 HG22 HG11 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.476 HG13 ' H2 ' ' B' ' 50' ' ' ALA . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' H2 ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.483 ' O ' HG12 ' B' ' 57' ' ' ILE . 24.4 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 58' ' ' ALA . 58.1 mt -83.43 86.64 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.96 -54.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.524 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 63.94 -170.98 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.98 76.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.268 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 73.54 129.78 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.438 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.05 -176.03 3.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.987 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -109.11 135.39 50.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.1 tp -98.33 89.88 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.73 -58.71 3.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.304 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.62 107.17 19.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -59.64 -32.67 70.66 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 68.76 116.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.268 0.556 . . . . 0.0 111.301 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -64.57 132.65 50.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.099 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -87.04 -70.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.43 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.243 0.759 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.509 -178.338 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 70.9 mtm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 23.4 Cg_exo -64.3 101.74 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.607 2.204 . . . . 0.0 111.678 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 64.45 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.961 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tp 178.83 158.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -121.9 -72.3 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 56.86 34.1 24.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.68 0.752 . . . . 0.0 110.928 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -100.4 131.08 46.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.425 172.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -62.96 116.88 5.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.29 -51.83 56.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.577 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 HG21 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' HG13 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG23 HD22 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm -61.34 -41.11 88.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -73.43 117.65 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.828 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HB3' HH12 ' B' ' 54' ' ' ARG . 30.9 tt0 -133.3 94.11 3.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.039 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -135.6 103.6 5.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -79.44 -58.6 3.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.708 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -155.1 53.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 66.9 m80 71.49 179.97 0.23 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.27 -177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.9 101.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.43 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -99.75 8.23 44.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.47 145.71 43.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.63 120.46 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.431 . . . . 0.0 109.869 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -122.56 99.85 6.62 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.147 -173.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -73.82 148.68 42.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -43.92 -60.36 1.87 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.902 0.751 . . . . 0.0 110.847 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.467 170.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.684 0.278 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.62 -61.21 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 111.992 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -105.18 148.35 27.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 4' ' ' ILE . 22.9 pt -81.8 94.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.732 0.777 . . . . 0.0 111.251 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -94.49 89.25 5.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.457 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -128.09 84.66 2.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.462 0.649 . . . . 0.0 110.123 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -117.12 157.56 25.72 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.567 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -55.02 125.73 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.49 HD22 HG23 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' HG2' HG21 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.533 HG13 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 32' ' ' LEU . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.443 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.575 ' HA ' HD13 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.53 HH12 ' HB3' ' A' ' 71' ' ' GLU . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.516 HG13 HG23 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -85.34 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.6 86.24 1.87 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.695 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -100.29 89.81 4.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.926 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -122.03 129.22 52.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.386 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -115.22 83.02 1.84 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.85 -64.07 0.34 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.144 0.903 . . . . 0.0 110.782 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -169.09 144.72 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.77 79.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.297 0.57 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -154.63 91.16 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -111.82 -31.28 7.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.822 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -134.82 129.38 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.507 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -118.89 108.75 15.18 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.255 0.55 . . . . 0.0 110.935 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.01 161.18 31.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.675 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -88.36 147.43 24.75 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.505 -179.17 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.541 0.21 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.92 130.49 13.4 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.314 2.009 . . . . 0.0 111.483 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -105.03 91.44 3.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.534 0.683 . . . . 0.0 110.464 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.9 pt -95.56 143.88 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.701 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . 19.9 p -99.25 -48.6 4.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.749 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 6' ' ' ARG . 21.9 mtt180 46.65 55.3 7.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.655 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.459 ' HD2' ' HB2' ' A' ' 5' ' ' SER . 95.0 m-85 -100.86 165.71 11.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 172.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 m -60.23 109.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.008 0.432 . . . . 0.0 110.417 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.63 -30.66 71.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.579 -175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD11 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' HD21 ' A' ' 32' ' ' LEU . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' LEU . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 HD23 HG22 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.619 ' HB2' HG21 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.82 90.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.7 -57.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.126 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -119.41 123.83 45.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.74 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.25 -44.74 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 46.57 80.4 0.05 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 114.68 -1.146 . . . . 0.0 111.696 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 102.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.2 t60 65.37 -83.66 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.964 0.79 . . . . 0.0 111.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.6 tp 172.85 160.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.35 153.08 24.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.99 -3.04 12.16 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.192 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.52 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.959 0.787 . . . . 0.0 111.872 171.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -87.14 110.15 19.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.524 0.678 . . . . 0.0 110.47 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -125.68 -19.1 5.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -103.92 125.61 50.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.508 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.452 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -87.33 150.31 7.87 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.809 2.339 . . . . 0.0 112.02 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.15 130.27 19.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.68 79.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.568 0.699 . . . . 0.0 110.71 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -75.85 10.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.248 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -84.92 68.79 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.748 0.785 . . . . 0.0 110.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' A' ' 32' ' ' LEU . 96.7 m-85 -96.94 -175.64 3.32 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.092 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -85.45 125.38 32.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.533 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.438 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.438 HG21 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.41 HG22 HD23 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.52 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.439 ' O ' HG21 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.439 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.587 ' HA ' HD11 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.501 HD13 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.73 106.24 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.43 171.61 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' H2 ' ' B' ' 72' ' ' ASP . 23.3 tt0 -87.36 177.37 7.15 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.464 ' H2 ' ' HG2' ' B' ' 71' ' ' GLU . 22.3 t70 -76.35 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.0 0.429 . . . . 0.0 111.244 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -114.55 2.68 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.42 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.34 -84.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.251 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -159.54 -66.72 0.08 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -133.34 -169.43 2.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.945 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.59 130.14 39.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.211 0.529 . . . . 0.0 110.649 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -140.06 52.01 1.69 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.494 0.664 . . . . 0.0 109.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -77.37 118.71 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.043 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -92.97 90.99 7.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.791 0.805 . . . . 0.0 111.625 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -112.18 -33.37 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -74.15 135.55 42.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.468 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.383 175.758 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.565 0.221 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.29 -38.0 22.25 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.539 2.16 . . . . 0.0 111.219 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -142.97 131.39 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.329 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.833 HD11 ' H2 ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -79.2 84.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.626 0.727 . . . . 0.0 110.784 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -71.83 161.8 30.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -75.67 -37.57 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -71.26 140.26 50.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.2 172.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 p -56.71 135.66 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.847 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.62 -28.53 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.47 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 HG23 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.731 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.731 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 14.1 tt -66.97 -18.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.66 76.28 3.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.69 99.28 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.179 0.99 . . . . 0.0 112.131 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -166.92 97.97 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.328 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -84.03 -62.63 1.52 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.76 87.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.372 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -80.77 84.32 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.872 0.844 . . . . 0.0 110.814 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 tt -89.54 122.76 33.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.426 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CD ' ' H2 ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.63 -178.61 3.86 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.647 -177.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' H2 ' ' CD ' ' A' ' 77' ' ' GLU . 56.8 m80 74.39 98.91 0.07 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 110.713 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -85.52 -21.13 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.11 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -88.47 109.75 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -86.91 63.06 7.75 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.86 0.838 . . . . 0.0 110.004 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -160.17 138.99 10.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.14 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.52 -0.752 . . . . 0.0 109.828 -178.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.74 -40.88 42.24 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.546 2.164 . . . . 0.0 111.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -126.17 128.7 47.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.9 pt -103.68 138.69 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 0.0 111.162 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 128.5 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.403 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -67.78 -32.15 72.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.179 0.514 . . . . 0.0 110.232 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -75.97 177.46 7.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.536 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.425 ' O ' HG21 ' B' ' 12' ' ' VAL . 17.9 m -63.77 105.56 0.84 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.547 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 8.4 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 7.5 m120 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.558 HD12 ' HG ' ' B' ' 33' ' ' SER . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.505 ' HB2' HD21 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.558 ' HG ' HD12 ' B' ' 23' ' ' LEU . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.507 HG23 HG11 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.482 ' O ' HG21 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' B' ' 46' ' ' ASN . 5.9 m120 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.532 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.532 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.405 ' HB2' HD11 ' A' ' 69' ' ' ILE . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tp -74.01 -7.39 9.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.574 ' HA ' HH21 ' A' ' 54' ' ' ARG . 27.8 t-20 -133.22 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.126 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.32 11.19 35.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.637 -176.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.91 102.64 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.851 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -111.49 149.96 30.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 91.49 0.92 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -110.09 125.73 53.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 -175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.449 HD22 ' HE1' ' B' ' 81' ' ' HIS . 57.7 tp -80.79 95.31 6.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.911 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -88.39 -48.17 7.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -47.41 106.64 0.09 Allowed 'General case' 0 C--O 1.232 0.137 0 O-C-N 124.123 0.89 . . . . 0.0 111.635 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 10.7 p-80 -93.2 139.19 30.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.974 177.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 21.7 m170 74.39 86.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.112 0.882 . . . . 0.0 110.621 -173.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . 0.449 ' HE1' HD22 ' B' ' 76' ' ' LEU . 72.6 m80 -71.02 102.58 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -143.15 133.71 24.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.945 177.302 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.0 tmm? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.6 Cg_endo -83.0 103.86 1.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.154 2.569 . . . . 0.0 112.43 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.29 147.14 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.522 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.6 pt -77.92 74.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.471 0.653 . . . . 0.0 111.146 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -160.63 106.78 1.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.681 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 99.2 mtt180 -74.4 -49.64 21.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 t80 50.28 74.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.156 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 m 56.88 61.39 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 6' ' ' ARG . 5.0 p-10 -54.06 -34.5 60.25 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.004 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 HD21 HD23 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD13 HG23 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.941 ' HA ' HD11 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 78.4 mm-40 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt -75.66 141.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -73.32 82.03 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.239 0.542 . . . . 0.0 111.296 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 124.55 28.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.164 173.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.482 ' CG ' ' H2 ' ' A' ' 73' ' ' LYS . 9.4 t70 -131.09 -162.37 1.21 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.792 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' H2 ' ' CG ' ' A' ' 72' ' ' ASP . 53.8 mttp -66.44 -61.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.56 -173.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.75 10.22 5.86 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.208 0.603 . . . . 0.0 111.323 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -139.86 144.94 37.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.786 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 tp -157.58 145.06 18.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -92.94 -163.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.668 0.27 . . . . 0.0 111.068 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 68.71 80.14 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.14 -174.52 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.648 173.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.8 m170 69.53 171.95 0.3 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.212 0.32 . . . . 0.0 110.502 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 63.27 10.72 4.86 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.354 0.597 . . . . 0.0 110.683 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -143.87 -91.09 0.11 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.871 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.549 177.445 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.15 113.1 3.59 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.543 2.162 . . . . 0.0 113.15 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.42 92.7 8.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.54 103.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.406 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -169.86 152.35 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 6' ' ' ARG . 44.7 mtm180 -102.02 -61.46 1.38 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.349 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 t80 57.99 42.89 22.02 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m 62.32 68.25 0.68 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.842 -171.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.491 HG13 HG23 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG21 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.472 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.633 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.633 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt -97.17 144.94 9.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -82.79 113.56 20.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.5 140.39 49.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.996 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.73 142.0 37.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -132.78 25.03 4.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.15 82.99 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -134.76 111.08 9.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -124.26 178.76 5.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.272 0.558 . . . . 0.0 111.185 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.64 8.19 13.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.591 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -69.49 144.91 53.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.159 -173.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 73.62 -7.0 1.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.395 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -76.72 3.28 12.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.851 -0.531 . . . . 0.0 111.957 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -139.24 27.06 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.523 0.678 . . . . 0.0 109.928 170.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -139.83 142.33 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.117 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.751 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.079 176.452 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.268 0.556 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.21 -51.3 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.391 2.061 . . . . 0.0 112.06 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.85 179.69 6.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.735 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -120.09 123.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -73.09 128.91 36.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.649 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -84.29 -9.61 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.098 0.475 . . . . 0.0 111.122 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -83.67 116.62 22.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -51.26 138.86 20.01 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.808 0.692 . . . . 0.0 111.1 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.36 -23.93 58.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG21 HG22 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG23 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.488 HG23 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HB2' HG21 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.478 ' HB2' HG22 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -83.81 98.4 5.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -64.07 138.5 58.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.79 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.89 -23.53 61.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.3 153.65 31.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 23.7 pttm -71.08 -13.13 61.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.187 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 73.63 155.28 0.16 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.683 0.793 . . . . 0.0 112.036 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 3.3 m80 -149.13 -38.69 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.171 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 8.0 mp 69.18 157.2 0.15 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.656 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.71 148.73 21.98 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -78.02 107.98 10.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.186 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -154.26 -111.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.427 171.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 t60 61.21 -68.2 0.05 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.604 0.762 . . . . 0.0 111.087 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.29 86.31 2.38 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.243 0.718 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.963 -175.536 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptm . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 121.03 0.443 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.73 172.42 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.759 2.306 . . . . 0.0 111.994 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -81.02 95.8 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.423 ' C ' ' HG ' ' B' ' 5' ' ' SER . 14.6 tt -84.73 -25.01 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 -175.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' B' ' 4' ' ' ILE . 85.0 p 52.88 -166.25 0.07 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 111.332 -177.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -112.88 26.61 10.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.445 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.02 146.47 23.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -85.84 124.93 32.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.945 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.503 HD12 HD11 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.503 HD11 HD12 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.652 ' HB2' ' HZ1' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.446 HD13 HG23 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.478 HG22 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.432 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.507 HG22 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.507 HG13 HG22 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.488 ' HB2' HG23 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 89.87 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -73.14 164.16 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.392 -173.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.16 19.61 11.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.762 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.32 132.49 44.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.929 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.65 26.39 10.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.349 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -1.18 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 m170 72.27 169.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.013 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.714 HD23 ' H2 ' ' B' ' 76' ' ' LEU . 1.8 pt? -74.58 104.59 5.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.14 127.28 31.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.08 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -97.74 103.83 15.8 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 167.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -52.67 -48.87 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.866 -165.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.436 ' HA ' ' OXT' ' B' ' 83' ' ' HIS . 55.9 t-80 -104.95 123.98 48.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.34 0.59 . . . . 0.0 111.849 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -130.47 -67.68 0.72 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -111.43 -46.27 3.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 167.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.436 ' OXT' ' HA ' ' B' ' 80' ' ' HIS . 9.0 t-80 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.363 -1.289 . . . . 0.0 108.864 170.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.62 106.12 1.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.626 2.217 . . . . 0.0 111.573 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -73.26 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.934 0.397 . . . . 0.0 110.543 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.4 pt -111.19 0.1 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.589 . . . . 0.0 110.209 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -81.18 93.43 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -105.04 21.81 16.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.738 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.46 164.02 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 p -89.52 139.7 30.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.58 -48.28 63.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.761 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG13 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 HG11 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.767 HD22 HG12 ' B' ' 69' ' ' ILE . 32.7 m-80 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.96 72.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -133.07 -175.41 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.54 101.48 13.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.615 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.29 110.96 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.988 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -100.24 -11.48 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.154 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -58.01 5.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.53 69.95 0.6 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.395 171.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 tp -91.06 75.32 6.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.82 134.27 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.496 -175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -76.8 94.55 3.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.567 0.698 . . . . 0.0 109.98 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -126.06 114.05 17.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.379 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 69.42 -66.74 0.25 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.891 0.744 . . . . 0.0 111.492 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 4.2 t60 -140.28 -96.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 53.5 t-80 164.8 -43.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.505 0.503 . . . . 0.0 109.681 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.694 -166.678 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -76.45 85.28 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.441 2.094 . . . . 0.0 112.295 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -91.81 -76.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.645 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.2 pt -125.72 18.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -69.89 105.18 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.323 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -110.17 -1.17 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.224 0.535 . . . . 0.0 110.162 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -87.7 121.31 29.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m -58.79 134.29 56.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.633 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.454 HG11 HG23 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HG21 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.41 HG21 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.456 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.455 HG13 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.693 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD13 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.592 HD13 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.483 ' HB2' HG23 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.767 HG12 HD22 ' A' ' 46' ' ' ASN . 52.6 mt -80.73 92.26 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -137.59 -81.18 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.388 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.499 ' CD ' ' HZ2' ' B' ' 73' ' ' LYS . 29.9 tt0 -178.89 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.044 0.215 . . . . 0.0 110.787 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.49 97.31 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.077 0.861 . . . . 0.0 110.164 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.499 ' HZ2' ' CD ' ' B' ' 71' ' ' GLU . 65.0 mttm -73.66 157.23 36.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -174.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.6 170.4 0.21 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.89 0.744 . . . . 0.0 109.706 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -138.8 121.46 16.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.64 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.73 80.96 8.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.501 ' HG3' ' HB2' ' B' ' 79' ' ' HIS . 9.9 pt-20 -118.97 161.9 19.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.011 -171.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -78.16 82.87 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.501 ' HB2' ' HG3' ' B' ' 77' ' ' GLU . 24.2 t60 -93.88 -61.27 1.57 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.646 -170.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -167.5 89.41 0.31 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.551 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.3 t60 70.83 154.25 0.13 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.055 0.847 . . . . 0.0 110.648 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -55.95 -45.51 78.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.309 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.758 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 16.3 mmt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.82 -26.47 32.21 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.394 2.062 . . . . 0.0 110.632 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -93.35 108.34 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.597 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt -93.55 123.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.2 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -76.52 75.81 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.302 0.573 . . . . 0.0 110.819 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -139.86 -49.87 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.665 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 62.73 -161.39 0.3 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.636 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 10.0 m -89.65 108.66 19.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -50.31 -46.36 55.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.677 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.677 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 HG21 HD22 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.623 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.528 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt -86.95 -1.9 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -113.74 108.02 16.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.828 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.9 -53.99 2.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.147 0.499 . . . . 0.0 110.152 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -97.15 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -90.32 -87.08 0.19 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.866 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.02 179.54 0.11 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.539 176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.559 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 10.0 p-80 179.48 -17.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.92 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.559 ' HG ' ' HD2' ' A' ' 75' ' ' HIS . 93.5 mt -118.26 122.29 42.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.91 170.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -41.33 63.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -88.48 74.75 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.243 0.544 . . . . 0.0 111.518 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -81.83 -29.23 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.568 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.47 133.61 33.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -112.84 139.02 48.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.544 . . . . 0.0 111.516 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -91.69 145.9 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.472 -174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.297 176.231 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.8 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 4.6 Cg_exo -77.32 33.67 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.282 2.655 . . . . 0.0 112.087 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -169.52 125.19 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 pt -115.16 134.59 57.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -74.68 73.89 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.348 0.594 . . . . 0.0 111.025 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -115.12 -33.05 5.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.88 -164.91 0.25 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.789 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.86 103.21 5.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.535 ' O ' HG22 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.645 HG21 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.528 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.645 HG13 HG21 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.464 HD12 HG22 ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt -98.43 131.45 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.84 115.95 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.141 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -58.27 3.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.308 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -121.7 162.75 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 109.43 20.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.95 102.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.914 0.388 . . . . 0.0 110.063 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.406 ' CD2' ' HG ' ' B' ' 76' ' ' LEU . 55.8 p-80 -136.69 -6.47 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.873 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.406 ' HG ' ' CD2' ' B' ' 75' ' ' HIS . 91.3 mt -122.45 112.78 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.92 -48.6 11.31 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 173.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -89.73 72.94 7.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.486 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -72.52 -41.81 65.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.366 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -112.07 136.77 51.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -77.66 130.38 36.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -73.9 130.94 40.9 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.913 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -64.08 -15.32 48.65 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.198 2.599 . . . . 0.0 113.434 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 83.33 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.031 0.443 . . . . 0.0 110.616 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 mt -108.13 9.0 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.831 0.825 . . . . 0.0 108.878 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -54.07 134.23 43.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.012 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -84.78 24.21 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.096 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -118.89 122.77 43.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.092 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.8 m -73.96 136.93 43.28 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.89 -35.24 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.338 0.399 . . . . 0.0 110.07 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' SER . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HG22 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' HG21 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.89 ' HB2' ' HH ' ' B' ' 7' ' ' TYR . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.614 ' HG ' HD22 ' B' ' 44' ' ' LEU . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.494 HG21 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.42 ' HE1' HD22 ' B' ' 20' ' ' LEU . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' HG ' ' B' ' 68' ' ' SER . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.891 HD12 HG21 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB1' ' OE1' ' A' ' 53' ' ' GLN . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' OE1' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' B' ' 58' ' ' ALA . 64.6 mt -87.86 100.66 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -65.62 140.92 58.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.804 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.38 -16.61 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.436 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 1.2 t70 69.32 -164.17 0.18 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.224 -177.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -134.76 119.9 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.14 -0.35 . . . . 0.0 110.712 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.49 -4.87 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -123.72 120.27 32.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.951 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tt -79.07 87.74 4.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.933 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.48 88.25 7.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.454 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -83.26 -37.08 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.855 -172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -122.11 106.22 10.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.015 0.436 . . . . 0.0 111.039 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -69.42 131.71 45.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.736 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -65.41 115.6 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 110.77 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -85.62 105.4 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.103 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.638 0.256 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.34 120.99 8.3 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.67 2.247 . . . . 0.0 111.186 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -127.38 2.7 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.53 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 tt -59.77 110.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.607 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -162.78 108.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.272 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -75.97 -24.23 55.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.468 . . . . 0.0 110.509 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.89 ' HH ' ' HB2' ' A' ' 31' ' ' ASP . 70.3 m-85 -95.43 117.57 30.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.47 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -68.99 153.75 43.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.566 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.488 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.42 HD22 ' HE1' ' A' ' 40' ' ' MET . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' B' ' 33' ' ' SER . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.679 ' HG ' HD11 ' B' ' 23' ' ' LEU . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.487 HG22 HD22 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.507 ' O ' HG21 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.507 HG21 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD22 ' HG ' ' A' ' 33' ' ' SER . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.737 HG12 HD11 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.737 HD11 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.525 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.491 ' NH2' ' HB2' ' A' ' 72' ' ' ASP . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.525 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.418 ' HG ' HG23 ' A' ' 42' ' ' THR . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.8 115.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -79.65 138.55 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.151 0.501 . . . . 0.0 110.863 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.26 154.24 24.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.018 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.76 149.39 24.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.8 mmtp -113.42 -108.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.709 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.65 -50.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -84.93 111.6 19.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.068 0.461 . . . . 0.0 112.062 -176.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 105.5 17.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 169.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.25 -38.09 70.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.436 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 62.66 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.911 0.757 . . . . 0.0 110.835 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.71 101.73 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -75.54 32.3 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -164.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.8 m170 63.73 175.66 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.132 0.491 . . . . 0.0 111.416 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -106.76 -17.09 14.32 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.37 176.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.95 90.67 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.352 2.035 . . . . 0.0 112.418 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -84.16 123.38 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.8 mt -69.08 -71.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.277 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.458 ' C ' ' H2 ' ' A' ' 7' ' ' TYR . 45.7 m 57.34 95.94 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.784 0.677 . . . . 0.0 109.985 -172.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 22.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -172.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.508 ' HH ' ' HB2' ' B' ' 31' ' ' ASP . 75.2 m-85 -132.49 86.72 2.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 t -68.93 159.23 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.279 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.64 -43.08 57.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.315 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 HG22 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.758 HG23 HG23 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD13 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 1.026 ' HA ' HD11 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 1.026 HD11 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -73.75 109.55 6.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -133.74 118.49 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.033 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.661 ' HA ' HH21 ' B' ' 54' ' ' ARG . 1.6 mp0 -78.59 -77.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 20.89 9.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 111.122 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.97 -50.87 53.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.13 139.32 38.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -111.57 103.26 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.866 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.82 104.53 14.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.112 -176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.96 106.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -134.57 24.05 3.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -103.84 -7.89 20.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.44 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -89.54 122.91 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.077 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -108.27 162.51 14.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.843 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.88 -51.11 6.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--O 1.242 0.675 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.688 171.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.444 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 26.0 ttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.573 0.225 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 5.5 Cg_exo -77.46 115.87 3.99 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.632 2.221 . . . . 0.0 111.178 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -77.21 98.14 5.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.34 0.59 . . . . 0.0 110.325 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.7 mt -85.94 96.25 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -153.92 151.98 30.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.623 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -58.09 -27.17 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.564 ' HA ' ' OE1' ' B' ' 11' ' ' GLN . 20.2 m-85 -103.59 147.47 27.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.988 -169.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.33 164.75 27.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.781 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' B' ' 7' ' ' TYR . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG21 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.758 HG23 HG23 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HB3' HD22 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.508 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.462 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' B' ' 53' ' ' GLN . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.489 ' HG2' ' HB2' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.661 HH21 ' HA ' ' A' ' 71' ' ' GLU . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.45 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.43 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt -79.48 78.9 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -100.87 112.59 25.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 0.0 109.48 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.07 -14.35 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.675 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -128.38 -163.37 1.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 72.24 0.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.699 0.762 . . . . 0.0 110.18 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.12 94.92 2.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.838 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -96.37 131.34 43.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.604 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.1 tp -93.44 -1.14 56.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.919 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.29 65.74 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.51 0.672 . . . . 0.0 110.549 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -98.29 -1.94 40.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.443 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 39.1 t-80 -67.34 149.47 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.048 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 70.4 t60 72.85 102.42 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.867 0.73 . . . . 0.0 110.269 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -171.55 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -64.78 -24.17 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.507 170.638 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.09 -30.47 82.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.681 2.254 . . . . 0.0 111.882 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -100.78 99.18 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.092 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -85.88 129.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.003 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -105.11 97.42 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -79.52 -20.81 46.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.319 0.58 . . . . 0.0 109.624 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -69.04 138.73 54.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.007 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.9 m -64.5 112.46 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.8 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.73 -42.1 64.6 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.87 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' HD22 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' B' ' 7' ' ' TYR . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 HG23 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG22 HD12 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.495 HG23 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.495 HG13 HG23 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -75.12 112.03 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 61.72 99.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.915 0.76 . . . . 0.0 112.328 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -105.02 177.76 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -142.1 91.83 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 4.6 ttmp? -86.03 -57.85 2.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.825 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.45 113.07 21.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.171 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -82.28 120.39 25.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.196 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 tt 63.92 81.71 0.2 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.718 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HD2' ' A' ' 79' ' ' HIS . 28.9 mt-10 -84.88 -17.27 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.174 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 68.14 28.68 6.49 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.404 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.404 ' HD2' ' CB ' ' A' ' 77' ' ' GLU . 23.6 m-70 -70.73 123.44 21.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.044 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -159.89 150.83 19.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.84 103.75 13.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.7 m80 61.88 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.391 0.676 . . . . 0.0 112.234 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.496 -175.273 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.531 0.205 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.16 -33.09 97.1 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.933 2.422 . . . . 0.0 112.252 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.91 88.9 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.043 0.449 . . . . 0.0 109.926 176.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 tp -89.21 110.44 21.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.571 0.7 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 86.43 6.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -101.76 -3.57 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.555 0.693 . . . . 0.0 109.827 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 32' ' ' LEU . 79.3 m-85 -74.18 127.85 34.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.874 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.7 m -59.36 114.87 2.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 21' ' ' ASN . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD22 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.474 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.506 HD12 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.8 HG22 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.8 HD12 HG22 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.451 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.478 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 tp -64.3 -20.36 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -137.96 92.12 2.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.146 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' B' ' 68' ' ' SER . 52.6 mm-40 -116.38 80.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.333 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -103.18 125.68 49.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -113.87 -25.77 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.839 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.08 158.63 29.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -124.92 -52.45 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.298 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 tt -155.7 115.36 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -145.54 166.77 24.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.845 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -95.63 80.65 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.266 0.555 . . . . 0.0 109.56 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -88.41 -16.15 33.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.752 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -66.98 106.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.11 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.65 -67.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.491 -171.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.05 128.79 40.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.814 -175.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 90.23 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.283 1.989 . . . . 0.0 111.252 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.56 -1.29 14.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.183 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 tt -165.94 102.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.485 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -120.04 175.16 6.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.791 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -86.55 11.48 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.419 0.628 . . . . 0.0 110.162 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -120.7 -178.16 3.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -75.68 106.69 7.37 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.88 -30.7 67.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' H2 ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 8.5 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 HG12 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.554 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.476 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.2 mt -118.04 127.79 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.52 168.1 20.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.775 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' HG3' ' HE1' ' A' ' 75' ' ' HIS . 1.2 pm0 -79.31 155.32 28.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' B' ' 51' ' ' PRO . 34.5 t70 -111.59 84.47 1.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -174.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 tptt 64.17 -76.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.61 110.39 0.5 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -165.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.57 ' HE1' ' HG3' ' A' ' 71' ' ' GLU . 22.3 m80 -153.43 -166.26 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.554 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.8 mt 64.81 79.74 0.25 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.26 0.552 . . . . 0.0 111.174 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' H2 ' ' CD ' ' A' ' 77' ' ' GLU . 1.2 pm0 -79.12 130.66 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.543 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.1 t60 64.54 76.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -87.07 115.06 24.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.351 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -51.62 -49.42 62.26 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.506 0.504 . . . . 0.0 111.66 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.28 97.32 11.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -82.51 164.36 20.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.717 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.532 175.509 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.85 122.37 9.72 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.91 2.407 . . . . 0.0 112.47 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -70.47 -34.21 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 67.9 mt -104.82 121.11 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -109.83 140.01 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.177 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -101.68 20.72 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 0.0 111.332 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -127.15 174.41 8.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.599 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -65.96 98.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.131 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.487 HG12 HG21 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.431 ' O ' HG22 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.491 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.439 HD13 HD12 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.587 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 0.9 OUTLIER -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -80.83 111.26 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -109.16 136.19 49.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.83 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.16 135.22 36.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.98 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.428 ' HB2' ' HB3' ' A' ' 51' ' ' PRO . 2.6 m-20 -61.94 132.08 51.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.159 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' B' ' 73' ' ' LYS . 0.4 OUTLIER -79.68 14.43 1.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.415 -176.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.06 53.79 2.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.423 0.63 . . . . 0.0 109.87 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.13 14.01 21.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 98.5 mt -78.07 75.51 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.971 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.98 -58.37 6.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -132.35 -58.67 0.94 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.555 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 79.1 t60 67.49 -71.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.006 0.816 . . . . 0.0 110.708 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 4.3 t60 168.26 -38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -140.45 128.0 21.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.682 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -87.33 -67.42 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.107 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--O 1.245 0.835 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.183 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.701 0.286 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.05 120.04 7.1 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 110.957 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.83 -4.47 11.13 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.751 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -81.13 86.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.626 0.726 . . . . 0.0 110.149 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.17 95.74 4.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.667 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 71.1 ttt180 -90.87 17.96 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.496 0.665 . . . . 0.0 109.962 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.21 124.98 49.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.139 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -58.97 126.67 28.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.43 0.456 . . . . 0.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -63.9 -33.07 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.198 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.687 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.87 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.544 HG22 HD11 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.418 HE21 HG13 ' A' ' 49' ' ' ILE . 5.2 pm0 -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.491 ' HA ' HG23 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HG22 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm -78.91 106.17 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.15 -1.13 27.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.391 0.615 . . . . 0.0 110.647 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 63.66 -94.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.425 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -176.26 -60.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 32.51 6.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.294 -175.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -15.8 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.511 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -117.79 90.28 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.88 ' HG ' ' H2 ' ' A' ' 77' ' ' GLU . 17.5 tp -117.39 -163.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.88 ' H2 ' ' HG ' ' A' ' 76' ' ' LEU . 44.9 mt-10 -61.06 140.71 57.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -111.69 26.02 11.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.685 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 53.47 -177.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.404 1.082 . . . . 0.0 112.488 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.23 166.14 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -77.2 116.53 17.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.702 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -169.43 159.52 8.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.746 173.719 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.65 104.61 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.826 2.35 . . . . 0.0 112.023 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -124.58 -23.68 4.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.459 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.6 103.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -151.4 127.71 10.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.099 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -93.02 -16.47 25.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -82.56 108.44 15.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -65.59 152.62 43.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.896 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.704 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.584 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.562 ' H2 ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.426 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.704 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.702 HE21 ' HA ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.584 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.491 HG23 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm -74.31 101.69 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -105.72 107.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.594 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.91 145.94 30.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.977 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.04 -20.7 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 111.462 -174.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.86 29.88 1.28 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.262 -170.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -25.78 50.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.975 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -116.49 107.93 15.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.95 -83.09 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.808 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -174.68 153.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.447 ' CG ' ' H2 ' ' B' ' 79' ' ' HIS . 1.8 p80 -137.85 -66.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.676 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.447 ' H2 ' ' CG ' ' B' ' 78' ' ' HIS . 6.1 p80 177.9 154.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -116.2 170.47 8.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.028 0.205 . . . . 0.0 110.583 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -68.08 121.26 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.291 0.567 . . . . 0.0 112.038 -172.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 172.51 -27.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.373 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.663 177.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.579 ' HB2' ' HA ' ' A' ' 6' ' ' ARG . 13.9 Cg_endo -91.75 109.83 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.456 2.771 . . . . 0.0 112.248 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.705 ' HG3' ' H2 ' ' A' ' 4' ' ' ILE . 8.5 pt20 -81.25 -79.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.02 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.705 ' H2 ' ' HG3' ' A' ' 3' ' ' GLN . 63.5 mt -90.9 -56.97 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -73.91 104.64 4.85 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.419 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 51.8 ttp85 -79.64 -16.78 55.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.219 0.533 . . . . 0.0 110.255 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -98.89 154.86 17.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.471 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 39.7 m -66.42 146.1 54.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.772 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.05 -40.22 66.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.184 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 8' ' ' SER . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD12 HG12 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.702 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 33' ' ' SER . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.702 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HG ' HD21 ' A' ' 23' ' ' LEU . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.694 HG12 HD11 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.517 ' HA ' HD11 ' A' ' 49' ' ' ILE . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.663 HD22 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.548 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.523 HE21 ' HB1' ' B' ' 58' ' ' ALA . 1.6 mp0 -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG22 ' B' ' 42' ' ' THR . 70.6 mt -74.59 -45.68 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -117.87 100.26 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.1 -35.72 71.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.454 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.77 118.24 12.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.149 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -99.7 0.01 41.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 0.0 110.118 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.79 131.08 38.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.838 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -82.64 77.99 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.644 HD23 ' H2 ' ' A' ' 76' ' ' LEU . 2.5 pt? -84.89 122.4 29.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.149 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -151.72 152.51 32.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.12 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -131.29 -34.78 1.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 168.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 t60 52.78 -89.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.854 0.862 . . . . 0.0 112.172 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -66.3 107.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.465 ' C ' ' H2 ' ' A' ' 83' ' ' HIS . 60.3 t60 -106.57 156.25 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -73.65 31.07 0.07 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.465 ' H2 ' ' C ' ' A' ' 81' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.248 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.05 0.452 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.91 84.93 1.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.899 2.399 . . . . 0.0 112.386 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -72.28 -80.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.2 mt -117.13 5.3 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -99.2 109.53 22.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.156 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -98.57 -11.9 21.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.422 ' CD2' ' HG3' ' B' ' 6' ' ' ARG . 92.9 m-85 -124.87 156.73 37.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.389 172.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.675 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t -60.72 133.54 56.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.675 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.694 HD11 HG12 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB3' HD21 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.48 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.444 HG22 HD12 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.567 HD12 HD12 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.567 HD12 HD12 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.523 ' HB1' HE21 ' A' ' 66' ' ' GLN . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 46' ' ' ASN . 56.5 mt -78.45 117.99 24.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.8 t30 65.05 75.93 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 -176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -84.12 103.29 13.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.81 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.81 -65.72 0.1 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.042 -172.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 tttp 68.49 5.98 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.977 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.8 90.19 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.296 0.569 . . . . 0.0 109.595 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -80.07 90.74 5.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.756 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.669 HD23 ' H2 ' ' B' ' 76' ' ' LEU . 2.0 pt? -72.84 110.76 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 110.264 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.08 115.1 26.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.94 64.85 1.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.18 -37.97 87.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -96.58 124.4 40.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 167.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -71.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -146.53 15.55 1.27 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 168.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.15 -177.529 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.006 0.431 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -92.67 147.31 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.92 2.414 . . . . 0.0 112.964 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -137.83 117.92 13.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.405 HD13 ' O ' ' A' ' 4' ' ' ILE . 1.6 pp -113.43 137.25 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.915 0.864 . . . . 0.0 113.238 -172.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -148.05 87.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -101.43 75.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.71 0.766 . . . . 0.0 112.078 -163.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -96.0 33.23 1.74 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.891 165.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t 66.02 94.29 0.06 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.697 -168.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.41 -26.53 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.238 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.74 HG21 HG22 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD21 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 HG23 HG12 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.818 HG23 HD13 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.818 HD13 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' B' ' 62' ' ' ALA . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt -88.23 81.77 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -127.74 28.43 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.709 -174.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 44.6 mt-10 -75.1 -13.05 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.465 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -76.13 -175.49 3.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -135.31 156.54 48.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.964 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.22 -171.83 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.146 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -83.37 16.41 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.436 0.636 . . . . 0.0 110.38 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -149.89 106.14 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.185 173.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.49 172.89 13.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.625 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -134.83 124.57 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -98.87 9.15 44.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.752 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -130.64 146.23 52.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.028 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -126.58 100.69 6.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -94.15 135.71 35.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.443 . . . . 0.0 111.608 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.502 -0.761 . . . . 0.0 108.978 170.876 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 27.1 ptt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.639 0.256 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.7 Cg_exo -77.78 -48.58 0.1 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.856 2.371 . . . . 0.0 111.982 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 54.15 75.04 0.3 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 13.1 tt -93.5 121.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.0 110.345 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -76.4 125.48 29.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.954 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -71.96 -29.87 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.398 . . . . 0.0 109.938 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -59.63 122.65 14.62 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m -51.53 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.628 0.58 . . . . 0.0 111.303 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.74 HG22 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG21 ' B' ' 47' ' ' THR . 12.6 m120 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.777 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.47 HG21 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.534 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.777 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.426 HD12 HG22 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.65 85.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.492 ' N ' HD21 ' B' ' 70' ' ' ASN . 0.1 OUTLIER -156.69 26.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 -177.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -80.16 60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -94.54 174.52 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.416 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -82.5 162.16 22.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.18 169.99 11.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.842 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -89.31 5.04 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.84 159.39 43.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.479 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.548 0.69 . . . . 0.0 111.167 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -84.85 75.65 10.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 109.89 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 0.3 OUTLIER -56.47 126.74 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.611 -178.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 19.3 m80 72.03 105.61 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.334 -175.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -59.01 128.42 37.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.187 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -72.26 108.84 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.427 -171.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.23 128.31 14.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.819 2.346 . . . . 0.0 112.834 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -136.04 138.32 42.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.593 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.47 -67.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -179.62 150.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.465 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -96.28 73.6 2.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.84 143.59 9.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.31 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -49.72 113.92 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.359 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.25 -39.73 79.93 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' HG ' ' A' ' 33' ' ' SER . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.688 ' HG ' HD11 ' A' ' 23' ' ' LEU . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.59 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.599 HD22 HG23 ' B' ' 69' ' ' ILE . 11.4 m120 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.683 ' NH2' ' HA ' ' B' ' 71' ' ' GLU . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.575 ' HB2' HE22 ' B' ' 66' ' ' GLN . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.527 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.695 HG12 HD22 ' B' ' 46' ' ' ASN . 70.0 mt -69.75 98.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -123.45 179.68 4.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.725 ' HB2' HH22 ' B' ' 54' ' ' ARG . 39.9 tt0 -147.23 -69.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.902 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.15 156.84 18.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.0 111.302 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.48 168.67 10.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.319 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.53 98.26 6.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -92.34 75.54 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.56 111.56 20.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.759 -177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -87.23 144.57 26.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.854 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -131.78 -76.72 0.51 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -107.0 -26.29 11.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -114.71 150.87 34.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -87.38 -58.89 2.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.084 174.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 57.57 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.075 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.0 178.063 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -46.32 -69.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.319 2.679 . . . . 0.0 113.247 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 70.57 -51.4 0.66 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.722 0.639 . . . . 0.0 112.013 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt 71.34 -76.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.318 0.647 . . . . 0.0 111.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -156.74 157.18 34.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.775 0.321 . . . . 0.0 110.619 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -107.62 -66.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.326 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 63.19 176.85 0.15 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.199 -175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -82.48 121.26 26.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.466 ' CD ' ' H2 ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.516 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 9.3 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 26' ' ' HIS . 41.3 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.424 ' O ' HG21 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.443 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 18' ' ' GLU . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.498 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.695 HD22 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.725 HH22 ' HB2' ' A' ' 71' ' ' GLU . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.43 HD13 HG23 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.575 HE22 ' HB2' ' A' ' 58' ' ' ALA . 25.0 mm-40 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 46' ' ' ASN . 69.1 mt -79.07 99.91 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.44 154.61 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.926 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.683 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -71.42 -71.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.755 178.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -152.71 -170.46 3.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 130.6 54.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 137.65 58.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 111.582 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.31 94.3 9.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -95.25 117.39 30.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -111.94 95.18 5.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.31 -69.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.032 0.444 . . . . 0.0 110.058 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -168.62 -40.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -77.84 97.92 5.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.25 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -71.27 132.56 45.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.239 -173.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -95.91 -71.39 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.17 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 42.3 t60 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.46 179.633 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 16.5 Cg_exo -69.11 -164.55 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.785 2.323 . . . . 0.0 112.166 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 2' ' ' PRO . 54.0 mt-30 74.81 -35.01 0.28 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.52 0.728 . . . . 0.0 111.877 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -67.1 -11.03 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.297 0.57 . . . . 0.0 110.953 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 9.6 m -57.29 130.09 44.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.079 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -68.02 -47.1 69.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 70.3 m-85 -94.93 171.19 8.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.947 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -67.01 143.41 56.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.511 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.09 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD21 HG22 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.704 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HD22 ' B' ' 46' ' ' ASN . 15.1 tt -88.06 10.92 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.71 115.85 29.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.512 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -83.47 104.48 13.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.64 -36.52 21.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -77.3 96.71 4.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.624 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.09 143.71 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.015 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.77 159.93 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt 63.72 -151.08 0.32 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.739 0.649 . . . . 0.0 109.607 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.93 138.81 52.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.784 0.326 . . . . 0.0 110.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -77.68 74.78 4.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m80 65.19 -87.02 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.357 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -173.06 130.86 0.49 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.76 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.806 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 12.58 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.943 1.402 . . . . 0.0 113.555 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.54 175.604 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' OE1' ' B' ' 3' ' ' GLN . 20.2 Cg_exo -67.45 -20.92 47.5 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.351 2.034 . . . . 0.0 111.334 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.441 ' OE1' ' HD2' ' B' ' 2' ' ' PRO . 23.5 mp0 -78.33 83.89 4.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.5 pt -111.0 36.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -60.99 107.18 0.68 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.677 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -82.72 -27.23 31.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 166.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -99.95 -170.68 1.92 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.857 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t -85.34 138.11 32.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.716 -178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' HG21 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.45 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.445 ' HZ3' ' CD ' ' A' ' 18' ' ' GLU . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.466 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.428 ' HE1' ' HA ' ' A' ' 5' ' ' SER . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 HD21 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.69 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.711 HD22 HG13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.476 ' HB3' ' HG2' ' B' ' 53' ' ' GLN . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.478 HH11 ' HG3' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.478 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.536 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 1.0 OUTLIER -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt -91.15 -27.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -76.81 115.23 16.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.83 146.65 25.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.367 0.603 . . . . 0.0 112.037 -174.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.488 ' CG ' ' H2 ' ' B' ' 73' ' ' LYS . 20.3 t70 -104.07 -145.18 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 168.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.488 ' H2 ' ' CG ' ' B' ' 72' ' ' ASP . 67.9 mttm 59.34 76.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 131.92 49.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.114 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -77.1 -6.57 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.788 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.16 -69.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -158.09 -59.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.13 168.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.437 ' N ' ' HG2' ' B' ' 77' ' ' GLU . 90.5 m-70 -156.6 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -150.1 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -74.09 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -124.85 77.64 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.96 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -175.87 135.41 0.29 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.702 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.953 175.69 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 HG22 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.656 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.656 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 12' ' ' VAL . 29.2 p . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.565 HG21 HD12 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.509 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.565 HD12 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.493 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 HG22 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG22 HD13 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.56 HD21 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' HG21 ' B' ' 42' ' ' THR . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 36' ' ' VAL . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.515 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' SER . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.415 ' O ' HG12 ' B' ' 57' ' ' ILE . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.459 HD12 HG23 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.668 ' HA ' HG22 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 HD11 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' THR . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.415 HG21 ' HB3' ' B' ' 68' ' ' SER . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.447 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 33.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.3 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 19.2 mm-40 -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.646 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 HD13 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' B' ' 63' ' ' ARG . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.415 ' HB3' HG21 ' A' ' 42' ' ' THR . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG23 ' B' ' 42' ' ' THR . 61.4 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 12' ' ' VAL . 45.8 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' LEU . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 45' ' ' ILE . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.447 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.492 ' O ' HG12 ' B' ' 57' ' ' ILE . 94.9 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 58' ' ' ALA . 58.1 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.705 0.288 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 HG22 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG21 HD23 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.421 HG23 HG12 ' B' ' 69' ' ' ILE . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 69' ' ' ILE . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm . . . . . 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.614 0.245 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.547 HD23 HG21 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG22 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 12' ' ' VAL . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HG3' HG23 ' A' ' 69' ' ' ILE . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.532 HG13 HG21 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.421 HG12 HG23 ' A' ' 42' ' ' THR . 25.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD13 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 12' ' ' VAL . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.645 HG22 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.619 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.645 ' HB2' HG22 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.589 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' B' ' 12' ' ' VAL . 23.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.483 0.182 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.482 HG13 HG22 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.419 HG23 HD21 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.575 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.607 ' HA ' HD13 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.513 HD12 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 HG22 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HG22 ' B' ' 12' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.535 ' OD1' HD11 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.763 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG21 ' B' ' 45' ' ' ILE . 14.1 tt . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 12' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 58.8 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.535 HD11 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 78.9 m-20 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.488 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.453 ' HB3' HE22 ' B' ' 53' ' ' GLN . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' B' ' 50' ' ' ALA . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.401 HG22 ' O ' ' B' ' 66' ' ' GLN . 10.5 tp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD11 HG22 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 HG22 ' B' ' 41' ' ' VAL . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.955 ' HA ' HD13 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.955 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.597 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 14.6 mm100 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.5 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.391 0.615 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 28' ' ' ALA . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.516 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 37' ' ' LEU . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.668 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.455 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 120.355 0.122 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG22 HG13 ' B' ' 12' ' ' VAL . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.529 HG21 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 43' ' ' ASN . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.473 ' HB2' HG21 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.554 0.216 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.41 HG13 HG22 ' A' ' 36' ' ' VAL . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.519 HD13 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.519 HD12 HD13 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 32' ' ' LEU . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.536 HG21 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.536 HG13 HG21 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.597 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.529 ' HB2' HG21 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG11 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 HG13 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.592 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.481 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.722 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.495 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.506 ' HB2' HG22 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.678 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.678 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 HD23 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.472 HD12 HD13 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.533 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.979 0.418 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.522 HG21 HD23 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.67 HG23 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.533 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.67 HG13 HG23 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.542 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HG21 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' OE1' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.471 HD12 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' B' ' 58' ' ' ALA . 64.6 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.497 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.755 HG12 HD12 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.755 HD12 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.54 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.606 0.241 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.507 HG13 HG22 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD12 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.036 ' HA ' HD13 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.036 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' HA ' HG21 ' A' ' 49' ' ' ILE . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.487 ' HB2' HG21 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.502 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.502 HD23 ' HB1' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.458 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.4 ' HA ' ' NE ' ' B' ' 63' ' ' ARG . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' HD2' HD23 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 29' ' ' PRO . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.408 HG23 ' HA ' ' B' ' 69' ' ' ILE . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.526 HG21 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.558 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG13 HG21 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 12.7 m . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.559 0.218 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' ' 22' ' ' VAL . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.525 HD13 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.822 HG23 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.822 HD12 HG23 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.43 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 42' ' ' THR . 11.2 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 59.4 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 58.4 t30 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG22 HG13 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.495 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.46 HG12 HD21 ' B' ' 46' ' ' ASN . 66.2 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.548 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.46 HD21 HG12 ' A' ' 69' ' ' ILE . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.505 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.459 HD12 HD13 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 4.0 m-20 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.26 0.076 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 23' ' ' LEU . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 HD23 ' A' ' 20' ' ' LEU . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.9 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.9 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HA ' HG21 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 HG21 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.691 0.282 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.745 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.602 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.602 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.5 HG21 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.528 0.204 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB3' HD21 ' B' ' 32' ' ' LEU . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 HG11 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.714 HG13 HD12 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' ARG . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.721 HD21 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 49' ' ' ILE . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.512 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.546 HG12 HG23 ' B' ' 42' ' ' THR . 70.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.704 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' B' ' 13' ' ' GLU . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.704 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 10' ' ' GLU . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.57 HD13 HD11 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.721 HG12 HD21 ' A' ' 46' ' ' ASN . 56.5 mt . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 HG13 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 41' ' ' VAL . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.839 HG23 HD12 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.964 0.411 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 12' ' ' VAL . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG22 ' B' ' 47' ' ' THR . 93.2 m-20 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.504 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.786 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.437 HD12 HG21 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.403 HG23 HG12 ' B' ' 69' ' ' ILE . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.599 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.572 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HD21 ' B' ' 46' ' ' ASN . 70.0 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 63.6 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.434 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.462 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.734 HD21 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.567 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.686 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.45 HD12 HG21 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 9.7 mm100 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 42' ' ' THR . 69.1 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.523 -0.076 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.855 ' HA ' HD13 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.855 HD13 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' ILE . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.699 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 53' ' ' GLN . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 tt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.565 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.374 0.13 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.553 HG21 HD23 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.703 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ILE . . . . . 0.703 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.454 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' B' ' 51' ' ' PRO . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.487 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.547 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 4.2 m-20 -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.92 -172.76 1.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.477 2.118 . . . . 0.0 112.154 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -130.74 157.79 41.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.2 mp -73.83 -39.94 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 0.0 110.08 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -83.66 44.77 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.125 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.643 ' HA ' ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -77.12 17.15 0.48 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.721 -177.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.0 93.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 12' ' ' VAL . 51.8 m 60.64 29.26 18.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.845 -175.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.643 ' HB3' ' HA ' ' A' ' 6' ' ' ARG . 11.1 p-10 -50.19 -40.2 46.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.988 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 HG22 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.656 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.656 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.37 97.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -139.64 -161.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.742 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.9 146.53 37.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.76 94.8 2.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 75' ' ' HIS . 78.4 tttt 70.26 138.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.047 0.842 . . . . 0.0 111.664 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.13 -7.35 23.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.941 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.628 ' O ' ' HE2' ' A' ' 73' ' ' LYS . 33.9 m-70 -136.84 114.81 11.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.612 0.244 . . . . 0.0 110.733 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.65 112.6 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.092 0.472 . . . . 0.0 110.784 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.25 162.23 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.429 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -60.97 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.287 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 81.7 t60 58.79 98.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.757 0.661 . . . . 0.0 111.555 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -75.46 64.16 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.321 0.582 . . . . 0.0 112.153 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -169.96 111.44 0.44 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.005 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -84.58 -73.14 0.44 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.262 175.799 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -49.73 131.68 29.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.639 2.226 . . . . 0.0 111.368 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.51 ' H ' ' CD ' ' B' ' 3' ' ' GLN . 15.1 mp0 -59.68 -46.66 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.021 -173.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -179.27 -28.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 142.76 57.72 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.262 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -123.76 27.36 7.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.495 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -100.54 -77.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.545 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 12' ' ' VAL . 29.2 p -174.73 98.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.251 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.565 HG21 HD12 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.509 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.565 HD12 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.493 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt -75.19 88.04 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.6 134.63 44.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.612 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.16 -61.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.873 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -154.55 172.27 18.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -64.58 104.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.345 0.403 . . . . 0.0 109.939 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -31.55 68.17 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.453 0.471 . . . . 0.0 111.333 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -81.55 106.18 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.02 105.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.68 125.03 22.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.045 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -77.85 67.98 3.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -112.04 113.91 26.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.293 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -74.22 97.31 2.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.493 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -138.7 109.69 6.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -98.14 155.97 16.9 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 34.2 m170 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.092 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 87.4 mtp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 14.1 Cg_exo -71.21 -31.77 13.95 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.771 2.314 . . . . 0.0 112.632 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.47 150.35 21.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.15 102.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 65.87 -72.15 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.039 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 22.3 ttt180 -164.81 18.93 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.557 0.694 . . . . 0.0 109.631 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.65 178.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -110.79 157.57 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.124 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.54 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.683 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 HG22 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG22 HD13 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.56 HD21 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' HG21 ' B' ' 42' ' ' THR . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.34 -48.98 45.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.06 122.48 6.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.644 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.698 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . 6.1 pt-20 -90.22 130.76 36.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.888 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -94.12 -10.14 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' A' ' 71' ' ' GLU . 20.9 ptmt -56.14 149.92 15.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.793 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.025 0.44 . . . . 0.0 111.509 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -127.74 27.3 5.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.668 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.3 mt -76.51 -39.13 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.83 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' CD ' ' HD1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -156.76 -172.06 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.644 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -131.02 80.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.768 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HD1' ' CD ' ' A' ' 77' ' ' GLU . 39.2 p-80 -85.73 135.12 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -86.04 120.62 27.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -66.76 -41.67 87.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.475 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -68.9 123.4 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.775 179.135 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.14 147.94 80.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.688 2.259 . . . . 0.0 112.267 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 70.03 -1.25 2.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.333 0.653 . . . . 0.0 111.495 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt 70.87 -56.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.387 0.675 . . . . 0.0 111.509 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -146.78 -60.23 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.414 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -146.87 -45.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.184 0.516 . . . . 0.0 111.654 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -96.89 140.88 30.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.318 -161.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -83.52 147.22 27.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.25 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 36' ' ' VAL . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.515 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' SER . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.415 ' O ' HG12 ' B' ' 57' ' ' ILE . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.459 HD12 HG23 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.668 ' HA ' HG22 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt -71.79 -33.81 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -127.16 99.32 5.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.438 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.73 100.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 111.114 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.2 85.67 2.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -141.45 91.27 2.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.84 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.84 109.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.958 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -109.64 124.75 51.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.879 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.9 -167.48 1.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.472 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.6 141.6 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -70.61 105.32 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.065 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -126.04 2.82 7.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.851 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 74.0 108.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.482 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -83.56 45.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.899 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -169.28 141.07 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.933 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.751 179.54 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.497 0.189 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.08 148.67 45.12 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.648 2.232 . . . . 0.0 111.309 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -85.78 132.86 34.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.805 0.336 . . . . 0.0 110.152 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.85 -19.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 66.14 -168.95 0.2 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.577 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -165.28 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 110.212 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -75.32 163.78 27.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.581 -177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.2 t -79.39 133.24 36.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.435 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.01 -28.09 64.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 HD11 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' THR . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.415 HG21 ' HB3' ' B' ' 68' ' ' SER . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.447 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt -86.22 104.4 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 65.61 88.21 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.965 0.791 . . . . 0.0 109.305 -171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.83 119.2 6.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.113 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.53 119.08 13.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.877 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -130.91 91.64 3.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.76 173.57 11.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.975 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -130.25 161.53 30.98 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.9 tp -128.17 126.57 41.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.168 0.508 . . . . 0.0 111.446 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -150.23 143.73 25.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.791 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -104.11 110.47 22.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.313 . . . . 0.0 110.292 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -76.65 161.94 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -81.06 131.36 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.659 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -147.35 17.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.641 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -132.94 117.71 17.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.419 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.729 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 20.4 Cg_exo -65.12 99.01 0.33 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.904 2.402 . . . . 0.0 112.808 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -134.96 -178.61 5.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.044 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -162.46 150.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.161 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 113.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -30.2 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -116.94 174.19 6.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.882 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 33.0 t -58.5 116.03 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 19.2 mm-40 -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.646 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 HD13 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' B' ' 63' ' ' ARG . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.415 ' HB3' HG21 ' A' ' 42' ' ' THR . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt -67.02 -55.28 18.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.31 149.04 29.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.477 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.87 175.5 7.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.867 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -133.68 168.12 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.692 0.758 . . . . 0.0 109.043 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.03 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.674 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -129.8 146.5 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.21 86.54 1.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.216 0.531 . . . . 0.0 109.985 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.58 107.24 12.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.244 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.06 -20.16 56.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.025 -169.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 179.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 110.95 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -130.62 119.82 23.05 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -110.44 77.11 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.897 0.856 . . . . 0.0 110.26 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -168.3 131.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.815 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.549 176.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.704 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.704 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 29.0 Cg_endo -64.59 -179.53 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.967 1.778 . . . . 0.0 111.018 171.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.11 77.58 7.99 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.93 83.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 122.084 0.945 . . . . 0.0 111.792 -175.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -84.04 163.55 19.82 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.683 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 2.6 mpt_? -76.19 -2.46 31.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.251 0.548 . . . . 0.0 110.546 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -112.07 -81.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.692 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -156.62 135.74 11.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.995 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.51 -48.31 77.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG23 ' B' ' 42' ' ' THR . 61.4 mt -77.52 87.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -167.64 121.03 0.93 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.632 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.56 16.52 13.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.344 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 70.25 -61.72 0.45 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.231 0.957 . . . . 0.0 110.955 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 37.0 ttpt -171.61 133.16 0.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 124.3 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.452 0.47 . . . . 0.0 110.185 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.95 101.77 5.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.217 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.2 tp -99.71 107.79 19.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.854 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.14 -13.28 44.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.312 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -67.66 106.26 2.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.079 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -77.71 131.34 37.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.663 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -155.11 117.64 4.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.544 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -95.8 148.83 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -105.96 153.0 22.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.639 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.783 176.862 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -86.56 155.52 9.1 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.7 2.267 . . . . 0.0 112.987 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -90.22 101.77 14.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.65 HD12 ' H ' ' B' ' 4' ' ' ILE . 3.6 mp -52.13 110.0 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.21 0 O-C-N 123.597 0.56 . . . . 0.0 110.466 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -85.88 156.72 20.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.776 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -79.39 -18.34 52.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.478 0.656 . . . . 0.0 109.331 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -112.67 179.77 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.41 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 12' ' ' VAL . 45.8 t -65.88 123.3 19.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' LEU . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 45' ' ' ILE . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.447 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.492 ' O ' HG12 ' B' ' 57' ' ' ILE . 94.9 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 58' ' ' ALA . 58.1 mt -83.43 86.64 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.96 -54.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.524 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 63.94 -170.98 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.98 76.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.268 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 73.54 129.78 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.438 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.05 -176.03 3.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.987 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -109.11 135.39 50.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.1 tp -98.33 89.88 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.73 -58.71 3.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.304 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.62 107.17 19.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -59.64 -32.67 70.66 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 68.76 116.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.268 0.556 . . . . 0.0 111.301 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -64.57 132.65 50.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.099 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -87.04 -70.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.43 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.243 0.759 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.509 -178.338 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 70.9 mtm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 23.4 Cg_exo -64.3 101.74 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.607 2.204 . . . . 0.0 111.678 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 64.45 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.961 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tp 178.83 158.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -121.9 -72.3 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 56.86 34.1 24.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.68 0.752 . . . . 0.0 110.928 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -100.4 131.08 46.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.425 172.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -62.96 116.88 5.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.29 -51.83 56.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.577 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 HG22 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG21 HD23 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.421 HG23 HG12 ' B' ' 69' ' ' ILE . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 69' ' ' ILE . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm -61.34 -41.11 88.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -73.43 117.65 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.828 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB3' HH12 ' B' ' 54' ' ' ARG . 30.9 tt0 -133.3 94.11 3.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.039 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -135.6 103.6 5.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -79.44 -58.6 3.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.708 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -155.1 53.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 66.9 m80 71.49 179.97 0.23 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.27 -177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.9 101.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.43 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -99.75 8.23 44.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.47 145.71 43.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.63 120.46 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.431 . . . . 0.0 109.869 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -122.56 99.85 6.62 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.147 -173.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -73.82 148.68 42.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -43.92 -60.36 1.87 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.902 0.751 . . . . 0.0 110.847 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.467 170.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.684 0.278 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.62 -61.21 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 111.992 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -105.18 148.35 27.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 4' ' ' ILE . 22.9 pt -81.8 94.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.732 0.777 . . . . 0.0 111.251 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -94.49 89.25 5.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.457 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -128.09 84.66 2.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.462 0.649 . . . . 0.0 110.123 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -117.12 157.56 25.72 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.567 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -55.02 125.73 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.547 HD23 HG21 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG22 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 12' ' ' VAL . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 71' ' ' GLU . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.532 HG13 HG21 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.421 HG12 HG23 ' A' ' 42' ' ' THR . 25.4 mt -85.34 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.6 86.24 1.87 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.695 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -100.29 89.81 4.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.926 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -122.03 129.22 52.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.386 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -115.22 83.02 1.84 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.85 -64.07 0.34 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.144 0.903 . . . . 0.0 110.782 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -169.09 144.72 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.77 79.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.297 0.57 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -154.63 91.16 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -111.82 -31.28 7.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.822 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -134.82 129.38 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.507 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -118.89 108.75 15.18 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.255 0.55 . . . . 0.0 110.935 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.01 161.18 31.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.675 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -88.36 147.43 24.75 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.505 -179.17 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.541 0.21 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.92 130.49 13.4 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.314 2.009 . . . . 0.0 111.483 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -105.03 91.44 3.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.534 0.683 . . . . 0.0 110.464 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.9 pt -95.56 143.88 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.701 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.471 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . 19.9 p -99.25 -48.6 4.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.749 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 21.9 mtt180 46.65 55.3 7.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.655 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' HD2' ' HB2' ' A' ' 5' ' ' SER . 95.0 m-85 -100.86 165.71 11.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 172.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 m -60.23 109.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.008 0.432 . . . . 0.0 110.417 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.63 -30.66 71.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.579 -175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD13 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 12' ' ' VAL . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.645 HG22 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.619 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.645 ' HB2' HG22 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.589 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.7 mt -84.82 90.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -123.7 -57.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.126 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -119.41 123.83 45.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.74 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.25 -44.74 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 46.57 80.4 0.05 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 114.68 -1.146 . . . . 0.0 111.696 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 102.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.2 t60 65.37 -83.66 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.964 0.79 . . . . 0.0 111.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.6 tp 172.85 160.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.35 153.08 24.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.99 -3.04 12.16 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.192 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.52 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.959 0.787 . . . . 0.0 111.872 171.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -87.14 110.15 19.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.524 0.678 . . . . 0.0 110.47 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -125.68 -19.1 5.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -103.92 125.61 50.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.508 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.452 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -87.33 150.31 7.87 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.809 2.339 . . . . 0.0 112.02 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.15 130.27 19.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.68 79.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.568 0.699 . . . . 0.0 110.71 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -75.85 10.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.248 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -84.92 68.79 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.748 0.785 . . . . 0.0 110.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.414 ' CD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-85 -96.94 -175.64 3.32 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.092 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' B' ' 12' ' ' VAL . 23.8 t -85.45 125.38 32.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.533 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.482 HG13 HG22 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.419 HG23 HD21 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 7' ' ' TYR . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.575 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.607 ' HA ' HD13 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.513 HD12 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.73 106.24 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.43 171.61 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.459 ' HG2' ' H ' ' B' ' 72' ' ' ASP . 23.3 tt0 -87.36 177.37 7.15 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.459 ' H ' ' HG2' ' B' ' 71' ' ' GLU . 22.3 t70 -76.35 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.0 0.429 . . . . 0.0 111.244 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -114.55 2.68 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.42 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.34 -84.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.251 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -159.54 -66.72 0.08 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -133.34 -169.43 2.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.945 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' B' ' 77' ' ' GLU . 1.3 pp20? -72.59 130.14 39.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.211 0.529 . . . . 0.0 110.649 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -140.06 52.01 1.69 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.494 0.664 . . . . 0.0 109.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -77.37 118.71 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.043 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -92.97 90.99 7.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.791 0.805 . . . . 0.0 111.625 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -112.18 -33.37 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -74.15 135.55 42.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.468 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.383 175.758 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.565 0.221 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.29 -38.0 22.25 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.539 2.16 . . . . 0.0 111.219 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -142.97 131.39 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.329 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.906 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -79.2 84.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.626 0.727 . . . . 0.0 110.784 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -71.83 161.8 30.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -75.67 -37.57 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -71.26 140.26 50.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.2 172.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 p -56.71 135.66 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.847 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.62 -28.53 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.47 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 HG22 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HG22 ' B' ' 12' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.535 ' OD1' HD11 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.763 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG21 ' B' ' 45' ' ' ILE . 14.1 tt -66.97 -18.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -94.66 76.28 3.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.69 99.28 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.179 0.99 . . . . 0.0 112.131 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -166.92 97.97 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.328 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -84.03 -62.63 1.52 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.76 87.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.372 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -80.77 84.32 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.872 0.844 . . . . 0.0 110.814 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 tt -89.54 122.76 33.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.426 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.63 -178.61 3.86 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.647 -177.008 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 56.8 m80 74.39 98.91 0.07 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 110.713 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -85.52 -21.13 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.11 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -88.47 109.75 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -86.91 63.06 7.75 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.86 0.838 . . . . 0.0 110.004 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -160.17 138.99 10.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.14 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.52 -0.752 . . . . 0.0 109.828 -178.654 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.74 -40.88 42.24 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.546 2.164 . . . . 0.0 111.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -126.17 128.7 47.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.9 pt -103.68 138.69 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 0.0 111.162 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 128.5 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.403 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -67.78 -32.15 72.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.179 0.514 . . . . 0.0 110.232 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -75.97 177.46 7.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.536 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 12' ' ' VAL . 17.9 m -63.77 105.56 0.84 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.547 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 58.8 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.535 HD11 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 78.9 m-20 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.488 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.453 ' HB3' HE22 ' B' ' 53' ' ' GLN . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' B' ' 50' ' ' ALA . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.401 HG22 ' O ' ' B' ' 66' ' ' GLN . 10.5 tp -74.01 -7.39 9.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.594 ' HA ' HH21 ' A' ' 54' ' ' ARG . 27.8 t-20 -133.22 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.126 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.32 11.19 35.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.637 -176.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.91 102.64 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.851 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -111.49 149.96 30.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 91.49 0.92 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -110.09 125.73 53.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 -175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.7 tp -80.79 95.31 6.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.911 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -88.39 -48.17 7.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -47.41 106.64 0.09 Allowed 'General case' 0 C--O 1.232 0.137 0 O-C-N 124.123 0.89 . . . . 0.0 111.635 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 10.7 p-80 -93.2 139.19 30.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.974 177.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 21.7 m170 74.39 86.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.112 0.882 . . . . 0.0 110.621 -173.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.02 102.58 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -143.15 133.71 24.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.945 177.302 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.0 tmm? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.6 Cg_endo -83.0 103.86 1.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.154 2.569 . . . . 0.0 112.43 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.29 147.14 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.522 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.6 pt -77.92 74.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.471 0.653 . . . . 0.0 111.146 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -160.63 106.78 1.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.681 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 99.2 mtt180 -74.4 -49.64 21.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 t80 50.28 74.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.156 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 m 56.88 61.39 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 6' ' ' ARG . 5.0 p-10 -54.06 -34.5 60.25 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.004 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD11 HG22 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 HG22 ' B' ' 41' ' ' VAL . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.955 ' HA ' HD13 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.955 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.597 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 14.6 mm100 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.5 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt -75.66 141.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -73.32 82.03 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.239 0.542 . . . . 0.0 111.296 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 124.55 28.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.164 173.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 73' ' ' LYS . 9.4 t70 -131.09 -162.37 1.21 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.792 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' H ' ' CG ' ' A' ' 72' ' ' ASP . 53.8 mttp -66.44 -61.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.56 -173.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.75 10.22 5.86 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.208 0.603 . . . . 0.0 111.323 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -139.86 144.94 37.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.786 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 tp -157.58 145.06 18.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -92.94 -163.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.668 0.27 . . . . 0.0 111.068 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 68.71 80.14 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.14 -174.52 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.648 173.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.8 m170 69.53 171.95 0.3 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.212 0.32 . . . . 0.0 110.502 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 63.27 10.72 4.86 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.354 0.597 . . . . 0.0 110.683 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -143.87 -91.09 0.11 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.871 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.549 177.445 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.15 113.1 3.59 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.543 2.162 . . . . 0.0 113.15 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.42 92.7 8.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.54 103.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.406 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -169.86 152.35 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 6' ' ' ARG . 44.7 mtm180 -102.02 -61.46 1.38 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.349 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 t80 57.99 42.89 22.02 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m 62.32 68.25 0.68 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.842 -171.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 28' ' ' ALA . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.516 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 37' ' ' LEU . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.668 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.455 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt -97.17 144.94 9.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -82.79 113.56 20.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.5 140.39 49.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.996 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.73 142.0 37.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -132.78 25.03 4.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.15 82.99 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -134.76 111.08 9.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -124.26 178.76 5.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.272 0.558 . . . . 0.0 111.185 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -116.64 8.19 13.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.591 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -69.49 144.91 53.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.159 -173.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 73.62 -7.0 1.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.395 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -76.72 3.28 12.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.851 -0.531 . . . . 0.0 111.957 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -139.24 27.06 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.523 0.678 . . . . 0.0 109.928 170.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -139.83 142.33 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.117 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.751 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.079 176.452 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 2.9 ppp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.268 0.556 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 37.0 Cg_endo -67.21 -51.3 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.391 2.061 . . . . 0.0 112.06 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.85 179.69 6.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.735 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -120.09 123.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -73.09 128.91 36.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.649 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -84.29 -9.61 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.098 0.475 . . . . 0.0 111.122 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -83.67 116.62 22.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -51.26 138.86 20.01 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.808 0.692 . . . . 0.0 111.1 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.36 -23.93 58.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG22 HG13 ' B' ' 12' ' ' VAL . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.529 HG21 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 43' ' ' ASN . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.473 ' HB2' HG21 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -83.81 98.4 5.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.07 138.5 58.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.79 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.89 -23.53 61.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.3 153.65 31.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.08 -13.13 61.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.187 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 73.63 155.28 0.16 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.683 0.793 . . . . 0.0 112.036 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 13.4 m-70 -149.13 -38.69 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.171 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 8.0 mp 69.18 157.2 0.15 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.656 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.71 148.73 21.98 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -78.02 107.98 10.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.186 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -154.26 -111.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.427 171.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 t60 61.21 -68.2 0.05 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.604 0.762 . . . . 0.0 111.087 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.29 86.31 2.38 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.243 0.718 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.963 -175.536 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptm . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 121.03 0.443 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.73 172.42 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.759 2.306 . . . . 0.0 111.994 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -81.02 95.8 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 tt -84.73 -25.01 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p 52.88 -166.25 0.07 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 111.332 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -112.88 26.61 10.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.445 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.02 146.47 23.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -85.84 124.93 32.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.945 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.41 HG13 HG22 ' A' ' 36' ' ' VAL . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.519 HD13 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.519 HD12 HD13 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 32' ' ' LEU . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.536 HG21 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.536 HG13 HG21 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.597 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.529 ' HB2' HG21 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 89.87 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -73.14 164.16 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.392 -173.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.16 19.61 11.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.762 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.32 132.49 44.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.929 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.65 26.39 10.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.349 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -1.18 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 m170 72.27 169.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.013 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.792 HD23 ' H ' ' B' ' 76' ' ' LEU . 1.8 pt? -74.58 104.59 5.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.14 127.28 31.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.08 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -97.74 103.83 15.8 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 167.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -52.67 -48.87 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.866 -165.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.447 ' HA ' ' OXT' ' B' ' 83' ' ' HIS . 55.9 t-80 -104.95 123.98 48.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.34 0.59 . . . . 0.0 111.849 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -130.47 -67.68 0.72 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -111.43 -46.27 3.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 167.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.447 ' OXT' ' HA ' ' B' ' 80' ' ' HIS . 9.0 t-80 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.363 -1.289 . . . . 0.0 108.864 170.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.62 106.12 1.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.626 2.217 . . . . 0.0 111.573 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -73.26 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.934 0.397 . . . . 0.0 110.543 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.4 pt -111.19 0.1 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.589 . . . . 0.0 110.209 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -81.18 93.43 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -105.04 21.81 16.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.738 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.46 164.02 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 p -89.52 139.7 30.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.58 -48.28 63.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.761 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG11 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 HG13 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.592 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.96 72.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -133.07 -175.41 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.54 101.48 13.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.615 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.29 110.96 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.988 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -100.24 -11.48 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.154 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -58.01 5.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.53 69.95 0.6 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.395 171.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 tp -91.06 75.32 6.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.82 134.27 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.496 -175.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -76.8 94.55 3.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.567 0.698 . . . . 0.0 109.98 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -126.06 114.05 17.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.379 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 69.42 -66.74 0.25 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.891 0.744 . . . . 0.0 111.492 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 4.2 t60 -140.28 -96.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 53.5 t-80 164.8 -43.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.505 0.503 . . . . 0.0 109.681 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.694 -166.678 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -76.45 85.28 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.441 2.094 . . . . 0.0 112.295 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -91.81 -76.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.645 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.2 pt -125.72 18.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -69.89 105.18 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.323 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -110.17 -1.17 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.224 0.535 . . . . 0.0 110.162 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -87.7 121.31 29.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m -58.79 134.29 56.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.633 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.481 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.722 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.495 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.506 ' HB2' HG22 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 52.6 mt -80.73 92.26 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -137.59 -81.18 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.388 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -178.89 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.044 0.215 . . . . 0.0 110.787 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.49 97.31 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.077 0.861 . . . . 0.0 110.164 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -73.66 157.23 36.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.6 170.4 0.21 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.89 0.744 . . . . 0.0 109.706 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -138.8 121.46 16.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.64 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.73 80.96 8.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' B' ' 79' ' ' HIS . 9.9 pt-20 -118.97 161.9 19.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.011 -171.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -78.16 82.87 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.52 ' HB2' ' HG3' ' B' ' 77' ' ' GLU . 24.2 t60 -93.88 -61.27 1.57 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.646 -170.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -167.5 89.41 0.31 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.551 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.3 t60 70.83 154.25 0.13 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.055 0.847 . . . . 0.0 110.648 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -55.95 -45.51 78.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.309 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.3 mmt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 16.4 Cg_exo -68.82 -26.47 32.21 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.394 2.062 . . . . 0.0 110.632 173.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -93.35 108.34 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.597 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt -93.55 123.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.2 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -76.52 75.81 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.302 0.573 . . . . 0.0 110.819 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -139.86 -49.87 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.665 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 62.73 -161.39 0.3 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.636 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 10.0 m -89.65 108.66 19.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -50.31 -46.36 55.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.678 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.678 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 HD23 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.472 HD12 HD13 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.533 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt -86.95 -1.9 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -113.74 108.02 16.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.828 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.9 -53.99 2.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.147 0.499 . . . . 0.0 110.152 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -97.15 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB2' ' H ' ' A' ' 74' ' ' ALA . 88.6 mttt -90.32 -87.08 0.19 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.866 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 73' ' ' LYS . . . 61.02 179.54 0.11 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.539 176.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.3 p80 179.48 -17.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.92 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.5 mt -118.26 122.29 42.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.91 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.42 -41.33 63.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -88.48 74.75 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.243 0.544 . . . . 0.0 111.518 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -81.83 -29.23 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.568 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.47 133.61 33.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -112.84 139.02 48.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.544 . . . . 0.0 111.516 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -91.69 145.9 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.472 -174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.297 176.231 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.8 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 4.6 Cg_exo -77.32 33.67 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.282 2.655 . . . . 0.0 112.087 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -169.52 125.19 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 pt -115.16 134.59 57.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -74.68 73.89 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.348 0.594 . . . . 0.0 111.025 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -115.12 -33.05 5.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.88 -164.91 0.25 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.789 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.86 103.21 5.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.522 HG21 HD23 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.67 HG23 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.533 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.67 HG13 HG23 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.542 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt -98.43 131.45 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.84 115.95 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.141 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -58.27 3.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.308 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -121.7 162.75 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 109.43 20.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.95 102.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.914 0.388 . . . . 0.0 110.063 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.412 ' CD2' ' HG ' ' B' ' 76' ' ' LEU . 55.8 p-80 -136.69 -6.47 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.873 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' B' ' 75' ' ' HIS . 91.3 mt -122.45 112.78 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.92 -48.6 11.31 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 173.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -89.73 72.94 7.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.486 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -72.52 -41.81 65.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.366 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -112.07 136.77 51.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -77.66 130.38 36.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -73.9 130.94 40.9 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.913 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 13.3 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 29.0 Cg_exo -64.08 -15.32 48.65 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.198 2.599 . . . . 0.0 113.434 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 83.33 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.031 0.443 . . . . 0.0 110.616 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 mt -108.13 9.0 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.831 0.825 . . . . 0.0 108.878 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -54.07 134.23 43.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.012 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -84.78 24.21 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.096 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -118.89 122.77 43.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.092 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.8 m -73.96 136.93 43.28 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.89 -35.24 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.338 0.399 . . . . 0.0 110.07 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 8' ' ' SER . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HG21 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' OE1' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.471 HD12 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' B' ' 58' ' ' ALA . 64.6 mt -87.86 100.66 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -65.62 140.92 58.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.804 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.38 -16.61 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.436 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 1.2 t70 69.32 -164.17 0.18 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.224 -177.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -134.76 119.9 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.14 -0.35 . . . . 0.0 110.712 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.49 -4.87 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -123.72 120.27 32.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.951 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tt -79.07 87.74 4.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.933 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.48 88.25 7.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.454 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -83.26 -37.08 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.855 -172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -122.11 106.22 10.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.015 0.436 . . . . 0.0 111.039 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -69.42 131.71 45.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.736 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -65.41 115.6 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 110.77 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -85.62 105.4 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.103 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.638 0.256 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.34 120.99 8.3 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.67 2.247 . . . . 0.0 111.186 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -127.38 2.7 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.53 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 tt -59.77 110.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.607 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -162.78 108.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.272 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -75.97 -24.23 55.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.468 . . . . 0.0 110.509 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -95.43 117.57 30.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.47 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -68.99 153.75 43.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.566 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.497 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.755 HG12 HD12 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.755 HD12 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.54 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.488 ' NH2' ' HB2' ' A' ' 72' ' ' ASP . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.8 115.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -79.65 138.55 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.151 0.501 . . . . 0.0 110.863 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.26 154.24 24.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.018 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.76 149.39 24.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.8 mmtp -113.42 -108.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.709 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.65 -50.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -84.93 111.6 19.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.068 0.461 . . . . 0.0 112.062 -176.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 105.5 17.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 169.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.25 -38.09 70.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.436 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 62.66 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.911 0.757 . . . . 0.0 110.835 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.71 101.73 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -75.54 32.3 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -164.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.8 m170 63.73 175.66 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.132 0.491 . . . . 0.0 111.416 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -106.76 -17.09 14.32 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.37 176.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.95 90.67 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.352 2.035 . . . . 0.0 112.418 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 16.3 mm-40 -84.16 123.38 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.8 mt -69.08 -71.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.277 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' TYR . 45.7 m 57.34 95.94 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.784 0.677 . . . . 0.0 109.985 -172.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 22.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -172.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 5' ' ' SER . 75.2 m-85 -132.49 86.72 2.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 t -68.93 159.23 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.279 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.64 -43.08 57.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.315 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG13 HG22 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD12 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.036 ' HA ' HD13 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.036 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' HA ' HG21 ' A' ' 49' ' ' ILE . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -73.75 109.55 6.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -133.74 118.49 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.033 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HA ' HH21 ' B' ' 54' ' ' ARG . 1.6 mp0 -78.59 -77.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 20.89 9.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 111.122 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.97 -50.87 53.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.13 139.32 38.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -111.57 103.26 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.866 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.82 104.53 14.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.112 -176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.96 106.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -134.57 24.05 3.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -103.84 -7.89 20.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.44 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -89.54 122.91 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.077 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -108.27 162.51 14.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.843 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.88 -51.11 6.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--O 1.242 0.675 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.688 171.707 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 26.0 ttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.573 0.225 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 5.5 Cg_exo -77.46 115.87 3.99 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.632 2.221 . . . . 0.0 111.178 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -77.21 98.14 5.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.34 0.59 . . . . 0.0 110.325 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.7 mt -85.94 96.25 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -153.92 151.98 30.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.623 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -58.09 -27.17 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.591 ' HA ' ' OE1' ' B' ' 11' ' ' GLN . 20.2 m-85 -103.59 147.47 27.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.988 -169.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.33 164.75 27.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.781 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' B' ' 7' ' ' TYR . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.487 ' HB2' HG21 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.502 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.502 HD23 ' HB1' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.675 HH21 ' HA ' ' A' ' 71' ' ' GLU . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.458 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.4 ' HA ' ' NE ' ' B' ' 63' ' ' ARG . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt -79.48 78.9 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -100.87 112.59 25.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 0.0 109.48 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.07 -14.35 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.675 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -128.38 -163.37 1.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 72.24 0.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.699 0.762 . . . . 0.0 110.18 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.12 94.92 2.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.838 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -96.37 131.34 43.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.604 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.1 tp -93.44 -1.14 56.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.919 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.29 65.74 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.51 0.672 . . . . 0.0 110.549 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -98.29 -1.94 40.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.443 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 39.1 t-80 -67.34 149.47 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.048 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 70.4 t60 72.85 102.42 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.867 0.73 . . . . 0.0 110.269 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -171.55 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -64.78 -24.17 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.507 170.638 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.09 -30.47 82.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.681 2.254 . . . . 0.0 111.882 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -100.78 99.18 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.092 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -85.88 129.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.003 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -105.11 97.42 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -79.52 -20.81 46.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.319 0.58 . . . . 0.0 109.624 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -69.04 138.73 54.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.007 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.9 m -64.5 112.46 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.8 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.73 -42.1 64.6 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.87 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' HD2' HD23 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' B' ' 7' ' ' TYR . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.408 HG23 ' HA ' ' B' ' 69' ' ' ILE . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.526 HG21 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.558 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG13 HG21 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -75.12 112.03 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 61.72 99.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.915 0.76 . . . . 0.0 112.328 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -105.02 177.76 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -142.1 91.83 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 73' ' ' LYS . 4.6 ttmp? -86.03 -57.85 2.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.825 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.45 113.07 21.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.171 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -82.28 120.39 25.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.196 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 tt 63.92 81.71 0.2 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.718 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.88 -17.27 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.174 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 68.14 28.68 6.49 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.404 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -70.73 123.44 21.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.044 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -159.89 150.83 19.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.84 103.75 13.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.7 m80 61.88 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.391 0.676 . . . . 0.0 112.234 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.496 -175.273 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.531 0.205 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.16 -33.09 97.1 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.933 2.422 . . . . 0.0 112.252 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.91 88.9 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.043 0.449 . . . . 0.0 109.926 176.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 tp -89.21 110.44 21.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.571 0.7 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 86.43 6.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -101.76 -3.57 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.555 0.693 . . . . 0.0 109.827 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' LEU . 79.3 m-85 -74.18 127.85 34.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.874 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 12.7 m -59.36 114.87 2.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' ' 22' ' ' VAL . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.525 HD13 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.822 HG23 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.822 HD12 HG23 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.43 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.508 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 42' ' ' THR . 11.2 tp -64.3 -20.36 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -137.96 92.12 2.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.146 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' B' ' 68' ' ' SER . 52.6 mm-40 -116.38 80.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.333 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -103.18 125.68 49.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -113.87 -25.77 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.839 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.08 158.63 29.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -124.92 -52.45 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.298 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 tt -155.7 115.36 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -145.54 166.77 24.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.845 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -95.63 80.65 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.266 0.555 . . . . 0.0 109.56 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -88.41 -16.15 33.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.752 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -66.98 106.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.11 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.65 -67.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.491 -171.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.05 128.79 40.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.814 -175.692 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 90.23 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.283 1.989 . . . . 0.0 111.252 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.56 -1.29 14.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.183 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 tt -165.94 102.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.485 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -120.04 175.16 6.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.791 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -86.55 11.48 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.419 0.628 . . . . 0.0 110.162 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -120.7 -178.16 3.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -75.68 106.69 7.37 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.88 -30.7 67.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 59.4 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 58.4 t30 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG22 HG13 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.495 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.46 HG12 HD21 ' B' ' 46' ' ' ASN . 66.2 mt -118.04 127.79 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.52 168.1 20.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.775 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.31 155.32 28.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' B' ' 51' ' ' PRO . 34.5 t70 -111.59 84.47 1.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -174.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 tptt 64.17 -76.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.61 110.39 0.5 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -165.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -153.43 -166.26 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.554 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.8 mt 64.81 79.74 0.25 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.26 0.552 . . . . 0.0 111.174 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 1.2 pm0 -79.12 130.66 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.543 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.1 t60 64.54 76.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -87.07 115.06 24.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.351 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -51.62 -49.42 62.26 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.506 0.504 . . . . 0.0 111.66 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.28 97.32 11.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -82.51 164.36 20.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.717 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.532 175.509 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 17.4 Cg_exo -66.85 122.37 9.72 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.91 2.407 . . . . 0.0 112.47 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -70.47 -34.21 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 67.9 mt -104.82 121.11 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -109.83 140.01 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.177 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -101.68 20.72 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 0.0 111.332 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -127.15 174.41 8.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.599 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -65.96 98.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.131 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.548 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.46 HD21 HG12 ' A' ' 69' ' ' ILE . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.505 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.459 HD12 HD13 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 4.0 m-20 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -80.83 111.26 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -109.16 136.19 49.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.83 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.16 135.22 36.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.98 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' PRO . 2.6 m-20 -61.94 132.08 51.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.159 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' B' ' 73' ' ' LYS . 0.4 OUTLIER -79.68 14.43 1.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.415 -176.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.06 53.79 2.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.423 0.63 . . . . 0.0 109.87 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.13 14.01 21.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 98.5 mt -78.07 75.51 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.971 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.98 -58.37 6.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -132.35 -58.67 0.94 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.555 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 79.1 t60 67.49 -71.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.006 0.816 . . . . 0.0 110.708 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 4.3 t60 168.26 -38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -140.45 128.0 21.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.682 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -87.33 -67.42 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.107 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--O 1.245 0.835 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.183 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.701 0.286 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.05 120.04 7.1 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 110.957 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -117.83 -4.47 11.13 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.751 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -81.13 86.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.626 0.726 . . . . 0.0 110.149 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.17 95.74 4.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.667 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 71.1 ttt180 -90.87 17.96 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.496 0.665 . . . . 0.0 109.962 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.21 124.98 49.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.139 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -58.97 126.67 28.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.43 0.456 . . . . 0.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -63.9 -33.07 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.198 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 23' ' ' LEU . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 HD23 ' A' ' 20' ' ' LEU . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.9 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.9 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HA ' HG21 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 HG21 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm -78.91 106.17 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.15 -1.13 27.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.391 0.615 . . . . 0.0 110.647 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' HG3' HE21 ' B' ' 55' ' ' GLN . 14.3 tt0 63.66 -94.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.425 -177.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -176.26 -60.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 32.51 6.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.294 -175.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -15.8 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.511 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -117.79 90.28 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.888 ' HG ' ' H ' ' A' ' 77' ' ' GLU . 17.5 tp -117.39 -163.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.888 ' H ' ' HG ' ' A' ' 76' ' ' LEU . 44.9 mt-10 -61.06 140.71 57.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -111.69 26.02 11.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.685 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 53.47 -177.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.404 1.082 . . . . 0.0 112.488 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.23 166.14 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -77.2 116.53 17.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.702 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -169.43 159.52 8.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.746 173.719 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 16.6 tpt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 32.2 Cg_exo -61.65 104.61 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.826 2.35 . . . . 0.0 112.023 178.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -124.58 -23.68 4.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.459 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.6 103.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -151.4 127.71 10.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.099 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -93.02 -16.47 25.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -82.56 108.44 15.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -65.59 152.62 43.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.896 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.745 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.602 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.512 HE21 ' HG3' ' A' ' 71' ' ' GLU . 20.0 mm-40 -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.602 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.5 HG21 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm -74.31 101.69 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -105.72 107.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.594 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.91 145.94 30.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.977 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.04 -20.7 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 111.462 -174.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.86 29.88 1.28 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.262 -170.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -25.78 50.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.975 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -116.49 107.93 15.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.95 -83.09 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.808 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -174.68 153.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.425 ' CG ' ' H ' ' B' ' 79' ' ' HIS . 1.8 p80 -137.85 -66.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.676 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' B' ' 78' ' ' HIS . 6.1 p80 177.9 154.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -116.2 170.47 8.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.028 0.205 . . . . 0.0 110.583 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' B' ' 82' ' ' HIS . 30.2 m170 -68.08 121.26 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.291 0.567 . . . . 0.0 112.038 -172.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 18.5 p-80 172.51 -27.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.373 176.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.663 177.057 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.614 ' HB2' ' HA ' ' A' ' 6' ' ' ARG . 13.9 Cg_endo -91.75 109.83 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.456 2.771 . . . . 0.0 112.248 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.706 ' HG3' ' H ' ' A' ' 4' ' ' ILE . 8.5 pt20 -81.25 -79.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.02 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.706 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 63.5 mt -90.9 -56.97 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -73.91 104.64 4.85 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.419 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 51.8 ttp85 -79.64 -16.78 55.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.219 0.533 . . . . 0.0 110.255 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -98.89 154.86 17.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 39.7 m -66.42 146.1 54.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.772 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.05 -40.22 66.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.184 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 8' ' ' SER . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 HG11 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.714 HG13 HD12 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' ARG . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.721 HD21 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 49' ' ' ILE . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.512 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.546 HG12 HG23 ' B' ' 42' ' ' THR . 70.6 mt -74.59 -45.68 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -117.87 100.26 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.1 -35.72 71.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.454 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.77 118.24 12.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.149 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -99.7 0.01 41.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 0.0 110.118 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.79 131.08 38.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.838 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -82.64 77.99 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.5 pt? -84.89 122.4 29.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.149 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -151.72 152.51 32.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.12 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -131.29 -34.78 1.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 168.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HB3' ' H ' ' A' ' 80' ' ' HIS . 4.7 t60 52.78 -89.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.854 0.862 . . . . 0.0 112.172 173.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' H ' ' HB3' ' A' ' 79' ' ' HIS . 84.8 t60 -66.3 107.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' C ' ' H ' ' A' ' 83' ' ' HIS . 37.7 t-80 -106.57 156.25 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -73.65 31.07 0.07 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 81' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.248 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.445 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 21.6 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.05 0.452 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 4.0 Cg_exo -75.91 84.93 1.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.899 2.399 . . . . 0.0 112.386 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -72.28 -80.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.2 mt -117.13 5.3 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -99.2 109.53 22.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.156 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.433 ' HG3' ' CD2' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -98.57 -11.9 21.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.391 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.433 ' CD2' ' HG3' ' B' ' 6' ' ' ARG . 92.9 m-85 -124.87 156.73 37.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.389 172.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.704 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t -60.72 133.54 56.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' B' ' 13' ' ' GLU . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.704 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 10' ' ' GLU . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.57 HD13 HD11 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.721 HG12 HD21 ' A' ' 46' ' ' ASN . 56.5 mt -78.45 117.99 24.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.8 t30 65.05 75.93 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 -176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -84.12 103.29 13.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.81 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.81 -65.72 0.1 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.042 -172.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 tttp 68.49 5.98 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.977 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.8 90.19 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.296 0.569 . . . . 0.0 109.595 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -80.07 90.74 5.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.756 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.756 HD23 ' H ' ' B' ' 76' ' ' LEU . 2.0 pt? -72.84 110.76 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 110.264 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.08 115.1 26.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.94 64.85 1.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.18 -37.97 87.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -96.58 124.4 40.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 167.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -71.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -146.53 15.55 1.27 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 168.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.15 -177.529 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.006 0.431 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -92.67 147.31 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.92 2.414 . . . . 0.0 112.964 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -137.83 117.92 13.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 4' ' ' ILE . 1.6 pp -113.43 137.25 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.915 0.864 . . . . 0.0 113.238 -172.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -148.05 87.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -101.43 75.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.71 0.766 . . . . 0.0 112.078 -163.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -96.0 33.23 1.74 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.891 165.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t 66.02 94.29 0.06 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.697 -168.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.41 -26.53 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.238 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 HG13 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 41' ' ' VAL . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.839 HG23 HD12 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt -88.23 81.77 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -127.74 28.43 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.709 -174.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 44.6 mt-10 -75.1 -13.05 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.465 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -76.13 -175.49 3.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -135.31 156.54 48.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.964 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.22 -171.83 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.146 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -83.37 16.41 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.436 0.636 . . . . 0.0 110.38 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -149.89 106.14 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.185 173.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.49 172.89 13.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.625 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -134.83 124.57 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -98.87 9.15 44.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.752 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -130.64 146.23 52.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.028 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -126.58 100.69 6.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -94.15 135.71 35.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.443 . . . . 0.0 111.608 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.502 -0.761 . . . . 0.0 108.978 170.876 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.413 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 27.1 ptt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.639 0.256 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.7 Cg_exo -77.78 -48.58 0.1 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.856 2.371 . . . . 0.0 111.982 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 54.15 75.04 0.3 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 13.1 tt -93.5 121.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.0 110.345 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -76.4 125.48 29.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.954 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -71.96 -29.87 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.398 . . . . 0.0 109.938 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -59.63 122.65 14.62 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m -51.53 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.628 0.58 . . . . 0.0 111.303 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 12' ' ' VAL . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG22 ' B' ' 47' ' ' THR . 93.2 m-20 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.504 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.786 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.437 HD12 HG21 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.65 85.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -156.69 26.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -80.16 60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -94.54 174.52 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.416 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -82.5 162.16 22.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.18 169.99 11.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.842 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -89.31 5.04 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.84 159.39 43.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.479 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.548 0.69 . . . . 0.0 111.167 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -84.85 75.65 10.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 109.89 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 0.2 OUTLIER -56.47 126.74 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.611 -178.124 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 19.3 m80 72.03 105.61 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.334 -175.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -59.01 128.42 37.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.187 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -72.26 108.84 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.427 -171.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.23 128.31 14.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.819 2.346 . . . . 0.0 112.834 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -136.04 138.32 42.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.593 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.47 -67.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -179.62 150.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.465 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -96.28 73.6 2.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.84 143.59 9.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.31 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -49.72 113.92 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.359 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.25 -39.73 79.93 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.403 HG23 HG12 ' B' ' 69' ' ' ILE . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.599 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.698 ' NH2' ' HA ' ' B' ' 71' ' ' GLU . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.572 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HD21 ' B' ' 46' ' ' ASN . 70.0 mt -69.75 98.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -123.45 179.68 4.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.736 ' HB2' HH22 ' B' ' 54' ' ' ARG . 39.9 tt0 -147.23 -69.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.902 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.15 156.84 18.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.0 111.302 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.48 168.67 10.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.319 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.53 98.26 6.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -92.34 75.54 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.56 111.56 20.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.759 -177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -87.23 144.57 26.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.854 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -131.78 -76.72 0.51 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -107.0 -26.29 11.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -114.71 150.87 34.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -87.38 -58.89 2.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.084 174.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 57.57 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.075 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.0 178.063 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -46.32 -69.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.319 2.679 . . . . 0.0 113.247 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 70.57 -51.4 0.66 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.722 0.639 . . . . 0.0 112.013 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt 71.34 -76.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.318 0.647 . . . . 0.0 111.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -156.74 157.18 34.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.775 0.321 . . . . 0.0 110.619 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -107.62 -66.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.326 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 63.19 176.85 0.15 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.199 -175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -82.48 121.26 26.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 63.6 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.434 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.462 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.734 HD21 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.567 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.736 HH22 ' HB2' ' A' ' 71' ' ' GLU . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.45 HD12 HG21 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 9.7 mm100 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 42' ' ' THR . 69.1 mt -79.07 99.91 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.44 154.61 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.926 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.698 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -71.42 -71.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.755 178.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -152.71 -170.46 3.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 130.6 54.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 137.65 58.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 111.582 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -87.31 94.3 9.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -95.25 117.39 30.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -111.94 95.18 5.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.31 -69.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.032 0.444 . . . . 0.0 110.058 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -168.62 -40.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -77.84 97.92 5.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.25 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -71.27 132.56 45.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.239 -173.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -95.91 -71.39 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.17 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 42.3 t60 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.46 179.633 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.3 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 16.5 Cg_exo -69.11 -164.55 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.785 2.323 . . . . 0.0 112.166 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 2' ' ' PRO . 54.0 mt-30 74.81 -35.01 0.28 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.52 0.728 . . . . 0.0 111.877 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -67.1 -11.03 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.297 0.57 . . . . 0.0 110.953 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m -57.29 130.09 44.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.079 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -68.02 -47.1 69.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 70.3 m-85 -94.93 171.19 8.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.947 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -67.01 143.41 56.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.511 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.09 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.855 ' HA ' HD13 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.855 HD13 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' ILE . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.699 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 53' ' ' GLN . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 tt -88.06 10.92 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.71 115.85 29.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.512 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -83.47 104.48 13.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.64 -36.52 21.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -77.3 96.71 4.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.624 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.09 143.71 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.015 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.77 159.93 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt 63.72 -151.08 0.32 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.739 0.649 . . . . 0.0 109.607 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.93 138.81 52.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.784 0.326 . . . . 0.0 110.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -77.68 74.78 4.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m80 65.19 -87.02 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.357 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -173.06 130.86 0.49 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.76 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.806 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 12.58 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.943 1.402 . . . . 0.0 113.555 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.54 175.604 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.44 ' HD2' ' OE1' ' B' ' 3' ' ' GLN . 20.2 Cg_exo -67.45 -20.92 47.5 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.351 2.034 . . . . 0.0 111.334 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.44 ' OE1' ' HD2' ' B' ' 2' ' ' PRO . 23.5 mp0 -78.33 83.89 4.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.5 pt -111.0 36.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -60.99 107.18 0.68 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.677 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -82.72 -27.23 31.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 166.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -99.95 -170.68 1.92 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.857 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.565 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t -85.34 138.11 32.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.716 -178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.553 HG21 HD23 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.703 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ILE . . . . . 0.703 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.454 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' B' ' 51' ' ' PRO . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.487 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.547 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 4.2 m-20 -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt -91.15 -27.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -76.81 115.23 16.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.83 146.65 25.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.367 0.603 . . . . 0.0 112.037 -174.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 73' ' ' LYS . 20.3 t70 -104.07 -145.18 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 168.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.485 ' H ' ' CG ' ' B' ' 72' ' ' ASP . 67.9 mttm 59.34 76.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 131.92 49.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.114 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -77.1 -6.57 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.788 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.16 -69.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -158.09 -59.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.13 168.472 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.415 ' N ' ' HG2' ' B' ' 77' ' ' GLU . 90.5 m-70 -156.6 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -150.1 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -74.09 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -124.85 77.64 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.96 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -175.87 135.41 0.29 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.702 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.953 175.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 HG22 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.656 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.656 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 12' ' ' VAL . 29.2 p . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.565 HG21 HD12 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.509 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.565 HD12 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.493 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 HG22 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG22 HD13 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.56 HD21 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' HG21 ' B' ' 42' ' ' THR . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.236 0.352 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.84 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 36' ' ' VAL . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.515 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' SER . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.415 ' O ' HG12 ' B' ' 57' ' ' ILE . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.459 HD12 HG23 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.668 ' HA ' HG22 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 HD11 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' THR . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.415 HG21 ' HB3' ' B' ' 68' ' ' SER . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.447 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 33.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.3 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.878 HE21 ' HA ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.646 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' B' ' 50' ' ' ALA . 29.0 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 HD13 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' B' ' 63' ' ' ARG . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.415 ' HB3' HG21 ' A' ' 42' ' ' THR . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt . . . . . 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG23 ' B' ' 42' ' ' THR . 61.4 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 12' ' ' VAL . 45.8 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' LEU . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 45' ' ' ILE . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.447 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.492 ' O ' HG12 ' B' ' 57' ' ' ILE . 24.4 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 58' ' ' ALA . 58.1 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.705 0.288 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 HG22 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.547 HG21 HD23 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.421 HG23 HG12 ' B' ' 69' ' ' ILE . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 69' ' ' ILE . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm . . . . . 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.614 0.245 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.547 HD23 HG21 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG22 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 12' ' ' VAL . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HG3' HG23 ' A' ' 69' ' ' ILE . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.532 HG13 HG21 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.421 HG12 HG23 ' A' ' 42' ' ' THR . 25.4 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.091 0.472 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD13 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 12' ' ' VAL . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.645 HG22 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.619 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.645 ' HB2' HG22 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.589 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' B' ' 12' ' ' VAL . 23.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.483 0.182 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.482 HG13 HG22 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.419 HG23 HD21 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.575 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.607 ' HA ' HD13 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' B' ' 50' ' ' ALA . 22.4 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.513 HD12 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 CA--C 1.522 -0.133 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 HG22 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HG22 ' B' ' 12' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.535 ' OD1' HD11 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.763 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG21 ' B' ' 45' ' ' ILE . 14.1 tt . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 12' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 8.4 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.535 HD11 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 7.5 m120 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.488 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.453 ' HB3' HE22 ' B' ' 53' ' ' GLN . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' B' ' 50' ' ' ALA . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.401 HG22 ' O ' ' B' ' 66' ' ' GLN . 10.5 tp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD11 HG22 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 HG22 ' B' ' 41' ' ' VAL . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.955 ' HA ' HD13 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.955 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.597 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 78.4 mm-40 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.5 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.391 0.615 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 28' ' ' ALA . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.516 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 37' ' ' LEU . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.668 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.455 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 120.355 0.122 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG22 HG13 ' B' ' 12' ' ' VAL . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.529 HG21 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 43' ' ' ASN . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.473 ' HB2' HG21 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.554 0.216 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.41 HG13 HG22 ' A' ' 36' ' ' VAL . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.519 HD13 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.519 HD12 HD13 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 32' ' ' LEU . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.536 HG21 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.536 HG13 HG21 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.597 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.529 ' HB2' HG21 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG11 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 HG13 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.592 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.822 HD21 HG12 ' B' ' 69' ' ' ILE . 32.7 m-80 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.481 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.722 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.495 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.506 ' HB2' HG22 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.822 HG12 HD21 ' A' ' 46' ' ' ASN . 52.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.678 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.678 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 HD23 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.472 HD12 HD13 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.533 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.979 0.418 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.522 HG21 HD23 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.67 HG23 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.533 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.67 HG13 HG23 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.542 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HG21 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' OE1' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.471 HD12 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' B' ' 58' ' ' ALA . 64.6 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.497 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.755 HG12 HD12 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.755 HD12 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.54 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.606 0.241 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.507 HG13 HG22 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD12 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.036 ' HA ' HD13 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.036 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' HA ' HG21 ' A' ' 49' ' ' ILE . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.487 ' HB2' HG21 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.502 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.502 HD23 ' HB1' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.458 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.4 ' HA ' ' NE ' ' B' ' 63' ' ' ARG . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' HD2' HD23 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 29' ' ' PRO . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.408 HG23 ' HA ' ' B' ' 69' ' ' ILE . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.526 HG21 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.558 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG13 HG21 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 12.7 m . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.559 0.218 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' ' 22' ' ' VAL . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.525 HD13 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.822 HG23 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.822 HD12 HG23 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.43 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 42' ' ' THR . 11.2 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 8.5 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 3.2 t-20 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG22 HG13 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.823 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.495 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.46 HG12 HD21 ' B' ' 46' ' ' ASN . 66.2 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.548 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.46 HD21 HG12 ' A' ' 69' ' ' ILE . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.505 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.459 HD12 HD13 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 0.9 OUTLIER -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.26 0.076 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 23' ' ' LEU . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 HD23 ' A' ' 20' ' ' LEU . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.9 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.483 HE21 HG13 ' A' ' 49' ' ' ILE . 5.2 pm0 -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.9 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HA ' HG21 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 HG21 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.691 0.282 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.745 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.602 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.602 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.5 HG21 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.528 0.204 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB3' HD21 ' B' ' 32' ' ' LEU . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 HG11 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.714 HG13 HD12 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' ARG . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.721 HD21 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 49' ' ' ILE . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.512 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.584 HE21 ' HB1' ' B' ' 58' ' ' ALA . 1.6 mp0 -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.546 HG12 HG23 ' B' ' 42' ' ' THR . 70.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.704 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t . . . . . 0 C--O 1.237 0.404 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' B' ' 13' ' ' GLU . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.704 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 10' ' ' GLU . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.57 HD13 HD11 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.584 ' HB1' HE21 ' A' ' 66' ' ' GLN . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.721 HG12 HD21 ' A' ' 46' ' ' ASN . 56.5 mt . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 HG13 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 41' ' ' VAL . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.839 HG23 HD12 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.964 0.411 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 12' ' ' VAL . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG22 ' B' ' 47' ' ' THR . 12.6 m120 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.504 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.786 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.437 HD12 HG21 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.403 HG23 HG12 ' B' ' 69' ' ' ILE . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.599 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.631 HD21 HG23 ' B' ' 69' ' ' ILE . 11.4 m120 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HB1' HE22 ' B' ' 66' ' ' GLN . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.572 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HD21 ' B' ' 46' ' ' ASN . 70.0 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 9.3 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 26' ' ' HIS . 41.3 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.434 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.462 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.734 HD21 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.567 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.686 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.45 HD12 HG21 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.642 HE22 ' HB1' ' A' ' 58' ' ' ALA . 25.0 mm-40 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.631 HG23 HD21 ' A' ' 46' ' ' ASN . 69.1 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 CA--C 1.523 -0.076 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.855 ' HA ' HD13 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.855 HD13 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' ILE . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.699 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 53' ' ' GLN . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.765 HG13 HD21 ' B' ' 46' ' ' ASN . 15.1 tt . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.565 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.374 0.13 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.553 HG21 HD23 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.703 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.765 HD21 HG13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ILE . . . . . 0.703 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.454 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' B' ' 51' ' ' PRO . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.487 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.547 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 1.0 OUTLIER -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.92 -172.76 1.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.477 2.118 . . . . 0.0 112.154 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -130.74 157.79 41.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.2 mp -73.83 -39.94 52.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 0.0 110.08 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -83.66 44.77 1.0 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.125 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.643 ' HA ' ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -77.12 17.15 0.48 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.721 -177.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -73.0 93.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 12' ' ' VAL . 51.8 m 60.64 29.26 18.89 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.845 -175.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.643 ' HB3' ' HA ' ' A' ' 6' ' ' ARG . 11.1 p-10 -50.19 -40.2 46.26 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.988 -175.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.28 -49.1 72.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.215 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 30.0 tt0 -81.28 -34.68 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.433 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 HG22 ' B' ' 36' ' ' VAL . 74.3 t -58.56 -50.63 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.052 177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.76 -48.42 81.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.21 -39.38 92.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -67.94 -45.82 73.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.694 179.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.89 -44.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.928 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.05 88.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.681 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.9 mm-40 -64.06 -42.74 96.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 95.5 mt -60.26 -44.81 94.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.008 0.432 . . . . 0.0 110.536 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.46 -37.23 80.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.014 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -59.08 -44.09 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.79 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 18' ' ' GLU . 83.3 t -62.67 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.72 0.295 . . . . 0.0 110.963 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 89.3 mt -61.53 -46.54 89.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.25 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.419 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -64.15 -46.66 83.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.615 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -6.9 58.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.123 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 62.52 43.25 7.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.531 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.92 123.59 70.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.735 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.17 165.92 24.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.782 2.321 . . . . 0.0 112.292 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -57.29 -40.94 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.98 -49.53 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.843 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.3 tp -69.75 -38.05 76.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.411 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.6 t -58.13 -49.75 75.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.89 -34.93 78.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -63.71 -45.69 88.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.505 HG22 HG13 ' B' ' 12' ' ' VAL . 81.3 t -67.34 -49.58 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.1 mt -61.8 -40.38 95.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.812 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.27 -50.26 68.15 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.212 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.67 -39.65 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.419 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.45 -52.24 66.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.909 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 37' ' ' LEU . 96.4 t -61.41 -42.58 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.712 0.291 . . . . 0.0 110.76 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -59.03 -45.42 90.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.048 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.88 -40.12 91.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.36 -45.48 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.656 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 75.5 mt -67.57 -39.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.786 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.67 -37.32 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -90.66 -59.52 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.7 p -85.97 -22.78 27.19 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.656 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 36.7 mm -88.76 130.58 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.326 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.4 134.21 91.16 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.284 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -55.61 -24.35 44.76 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.074 2.516 . . . . 0.0 112.276 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.21 69.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.588 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -127.03 17.77 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.644 -173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 34.3 ptt85 -58.21 -42.09 85.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 111.094 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -78.66 -30.86 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.174 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.4 81.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.32 -42.25 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.725 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.94 79.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -70.44 -41.85 72.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.396 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.8 p -65.53 -37.47 86.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 0.0 110.808 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -65.27 -43.49 91.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.68 96.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.602 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -60.72 -39.06 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.05 89.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.03 -46.45 84.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.603 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -76.79 -8.86 58.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 t -88.84 -39.46 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.062 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -79.64 -41.21 27.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.061 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.37 97.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.18 0.514 . . . . 0.0 110.327 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -139.64 -161.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.742 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.9 146.53 37.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.76 94.8 2.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -167.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 75' ' ' HIS . 78.4 tttt 70.26 138.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.047 0.842 . . . . 0.0 111.664 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.13 -7.35 23.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.941 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.628 ' O ' ' HE2' ' A' ' 73' ' ' LYS . 33.9 m-70 -136.84 114.81 11.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.612 0.244 . . . . 0.0 110.733 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.65 112.6 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.092 0.472 . . . . 0.0 110.784 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.25 162.23 26.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.429 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -60.97 -49.38 77.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.287 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 81.7 t60 58.79 98.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.757 0.661 . . . . 0.0 111.555 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -75.46 64.16 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.321 0.582 . . . . 0.0 112.153 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -169.96 111.44 0.44 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.005 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -84.58 -73.14 0.44 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 m80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.262 175.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -49.73 131.68 29.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.639 2.226 . . . . 0.0 111.368 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.51 ' H ' ' CD ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -59.68 -46.66 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.021 -173.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.5 tp -179.27 -28.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 142.76 57.72 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.262 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -123.76 27.36 7.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.495 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -100.54 -77.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.545 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' HG23 ' B' ' 12' ' ' VAL . 29.2 p -174.73 98.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.251 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.85 -51.73 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.36 -171.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 mp0 -55.39 -42.11 73.57 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.924 0.393 . . . . 0.0 110.443 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.33 -48.05 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.774 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 36' ' ' VAL . 97.7 t -63.77 -39.33 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.508 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.03 -49.3 78.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.459 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 53.6 mt-30 -57.08 -44.19 82.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.31 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.11 -47.16 65.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.48 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.22 -47.24 85.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.234 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.65 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.499 ' O ' HG23 ' B' ' 22' ' ' VAL . 11.3 tp10 -70.36 -55.49 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 98.7 mt -58.24 -41.46 84.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.92 -40.97 99.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.413 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.39 -34.32 77.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -60.3 -42.37 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.038 0.446 . . . . 0.0 110.643 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 15' ' ' LEU . 7.1 tt -72.48 -45.9 57.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.032 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -64.35 -24.6 67.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.55 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -61.46 -26.73 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -107.09 -33.16 7.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.354 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 67.94 107.44 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.874 0.845 . . . . 0.0 111.725 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.463 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -134.62 147.1 61.84 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.56 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.25 159.3 40.11 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.343 2.029 . . . . 0.0 111.641 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 m -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -54.51 -50.12 68.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.968 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 36' ' ' VAL . 46.8 tp -72.08 -33.59 68.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.504 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -60.89 -43.64 98.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.412 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.78 -32.65 74.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.6 -50.21 70.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.052 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 12' ' ' VAL . 52.0 t -62.51 -53.09 51.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.02 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.3 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.29 -52.62 51.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.165 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.8 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -61.73 -58.3 8.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.114 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.64 -44.87 99.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 74.0 m -57.47 -50.27 73.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.75 -33.56 74.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.573 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.12 -53.52 55.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 64.7 mt -65.47 -32.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -67.22 -30.99 71.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -109.51 -44.55 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -80.22 -4.04 51.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 0.0 110.963 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.565 HG21 HD12 ' B' ' 57' ' ' ILE . 49.0 mm -121.66 145.57 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.41 133.98 76.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 123.204 0.315 . . . . 0.0 110.74 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 50.9 Cg_exo -55.04 -22.74 32.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.359 2.706 . . . . 0.0 113.254 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.39 39.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.539 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -102.91 1.81 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.509 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 31.0 ptt180 -60.71 -34.79 74.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.986 0.422 . . . . 0.0 110.417 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -74.42 -39.76 62.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.62 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.411 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.565 HD12 HG21 ' B' ' 49' ' ' ILE . 60.6 mt -70.65 -32.42 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.0 85.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.035 0.445 . . . . 0.0 110.438 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.05 -47.72 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.722 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.3 p -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.86 -44.94 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.823 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -61.83 -45.32 94.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.483 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -59.64 -46.1 90.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.701 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.493 ' O ' HG13 ' B' ' 69' ' ' ILE . 44.9 tp -59.25 -50.37 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.274 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 70.8 mm-40 -62.74 -31.75 72.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.8 m -82.47 -14.66 54.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.3 t -99.9 -29.62 12.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.0 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 65' ' ' LEU . 65.7 mt -75.19 88.04 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.391 0.615 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.6 134.63 44.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.612 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.16 -61.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.873 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -154.55 172.27 18.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -64.58 104.35 0.79 Allowed 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.345 0.403 . . . . 0.0 109.939 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.6 -31.55 68.17 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.453 0.471 . . . . 0.0 111.333 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -81.55 106.18 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.02 105.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.68 125.03 22.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.045 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -77.85 67.98 3.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -112.04 113.91 26.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.293 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -74.22 97.31 2.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.493 -175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -138.7 109.69 6.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -98.14 155.97 16.9 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 34.2 m170 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.092 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 87.4 mtp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 14.1 Cg_exo -71.21 -31.77 13.95 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.771 2.314 . . . . 0.0 112.632 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.47 150.35 21.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.293 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.15 102.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 65.87 -72.15 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.039 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 22.3 ttt180 -164.81 18.93 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.557 0.694 . . . . 0.0 109.631 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.65 178.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -110.79 157.57 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.124 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.54 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.683 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 6.0 tp10 -53.95 -37.38 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.026 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.64 -62.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.312 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 HG22 ' B' ' 36' ' ' VAL . 51.2 t -67.21 -40.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.372 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.92 -23.46 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.391 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 47.2 tt0 -68.7 -45.37 71.79 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HB3' HG11 ' B' ' 36' ' ' VAL . 78.9 mt -61.62 -45.29 94.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.232 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.13 -46.11 82.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.616 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.56 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.673 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.7 mt-10 -70.28 -32.6 70.48 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.671 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.26 -44.97 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.389 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -38.49 89.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.131 0.491 . . . . 0.0 109.98 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 18' ' ' GLU . 4.1 t30 -58.16 -38.25 76.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.003 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 18' ' ' GLU . 49.9 t -59.11 -52.53 59.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 177.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 28' ' ' ALA . 9.9 mp -66.83 -32.72 74.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.44 -178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.52 -54.53 10.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.971 0.415 . . . . 0.0 110.555 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.7 ttpt -58.34 -46.15 86.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.656 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -92.46 -11.78 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 60.91 87.3 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 111.681 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . . . -110.74 111.25 56.92 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.35 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 28' ' ' ALA . 19.8 Cg_endo -61.84 154.56 60.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.786 2.324 . . . . 0.0 111.669 177.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -53.87 -40.89 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.51 -53.0 62.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.313 0.577 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -67.31 -33.68 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 t -55.87 -51.39 67.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.69 -38.15 89.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -61.68 -50.58 71.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 15' ' ' LEU . 95.4 t -65.45 -47.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.33 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.7 mt -58.39 -44.8 89.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.229 . . . . 0.0 110.892 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.57 95.39 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.256 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.6 -34.75 77.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.397 0.617 . . . . 0.0 110.728 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -69.77 -49.68 50.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.995 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG22 HD13 ' B' ' 37' ' ' LEU . 88.8 t -63.29 -45.54 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.943 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 68' ' ' SER . 11.8 p -60.31 -37.52 80.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 110.959 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.7 -54.41 47.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.376 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.55 -47.49 79.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.129 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.5 mt -60.89 -45.29 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.648 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.56 HD21 HG13 ' B' ' 69' ' ' ILE . 40.2 m-80 -77.29 -16.13 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -98.51 -47.33 5.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.4 p -96.08 -36.7 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 66.2 mt -81.6 139.27 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 111.026 -175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.2 129.05 50.06 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.304 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 18.5 Cg_endo -58.96 -27.7 85.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.419 2.746 . . . . 0.0 113.871 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.93 83.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.821 0.343 . . . . 0.0 111.716 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -109.9 13.54 23.44 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 19.4 ptt85 -60.91 -40.61 93.79 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -77.03 -36.1 56.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.944 0.402 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -68.97 -38.18 78.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.351 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.41 93.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.151 0.501 . . . . 0.0 110.359 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 27.6 t-20 -66.05 -39.46 90.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.271 176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.6 m -64.36 -35.0 79.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.379 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -59.06 -42.54 90.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.955 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.22 83.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.222 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 93.7 mtt180 -61.76 -50.58 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.24 -33.59 76.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 HG23 ' B' ' 42' ' ' THR . 40.9 tp -58.93 -54.29 48.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.722 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.86 -42.46 99.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.194 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -62.13 -37.84 86.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.199 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HB2' HG21 ' B' ' 42' ' ' THR . 49.7 m -71.66 -33.17 68.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.34 -48.98 45.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.06 122.48 6.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.644 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.698 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . 6.1 pt-20 -90.22 130.76 36.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.888 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -94.12 -10.14 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' A' ' 71' ' ' GLU . 20.9 ptmt -56.14 149.92 15.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.793 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.025 0.44 . . . . 0.0 111.509 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -127.74 27.3 5.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.668 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.3 mt -76.51 -39.13 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.83 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' CD ' ' HD1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -156.76 -172.06 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.644 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -131.02 80.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.768 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HD1' ' CD ' ' A' ' 77' ' ' GLU . 39.2 p-80 -85.73 135.12 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -86.04 120.62 27.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -66.76 -41.67 87.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.475 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -68.9 123.4 20.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.775 179.135 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.14 147.94 80.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.688 2.259 . . . . 0.0 112.267 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 70.03 -1.25 2.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.333 0.653 . . . . 0.0 111.495 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt 70.87 -56.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.387 0.675 . . . . 0.0 111.509 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -146.78 -60.23 0.29 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.414 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -146.87 -45.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.184 0.516 . . . . 0.0 111.654 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -96.89 140.88 30.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.318 -161.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.2 t -83.52 147.22 27.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.25 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -57.5 -45.71 84.62 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.9 -44.74 63.91 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.219 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.84 HE21 ' HA ' ' B' ' 11' ' ' GLN . 0.0 OUTLIER -70.49 -44.86 66.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 -176.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.49 -38.59 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.641 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.33 -40.95 87.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.326 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 77.9 mt-30 -58.38 -54.45 46.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 175.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . 72.9 mt -61.11 -31.87 71.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.4 -177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.98 -47.69 79.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.16 90.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.867 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 14' ' ' GLN . 22.0 mm-40 -55.11 -54.19 46.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.98 177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.24 -44.56 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.58 -38.55 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -58.83 -45.4 90.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.746 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.47 -46.34 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mp -68.94 -41.09 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.42 -47.38 79.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.998 0.428 . . . . 0.0 110.778 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -62.68 -21.09 65.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.564 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -106.07 -11.52 16.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.859 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 50.71 59.76 4.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.476 0.655 . . . . 0.0 111.012 -173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.0 122.13 79.57 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.556 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.12 163.75 16.12 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.588 2.192 . . . . 0.0 111.807 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -53.05 -49.94 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.224 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.94 -49.48 77.27 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.52 0.2 . . . . 0.0 111.427 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 36' ' ' VAL . 66.2 tp -58.44 -46.77 85.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.515 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 65.2 m -56.86 -50.07 73.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.69 -38.96 82.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.724 0.297 . . . . 0.0 111.026 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttt -63.16 -48.22 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 12' ' ' VAL . 61.6 t -67.78 -37.85 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.011 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 41' ' ' VAL . 93.4 mt -62.29 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.246 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.92 95.73 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.655 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.035 0.445 . . . . 0.0 110.052 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 48.3 mmm -63.88 -51.73 63.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.331 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.5 t -58.85 -47.44 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' SER . 14.1 p -61.34 -49.78 75.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -58.18 -51.22 70.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.069 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.94 -46.8 78.4 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.444 0.465 . . . . 0.0 110.873 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.1 mt -71.66 -43.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.347 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' HD2' ' B' ' 54' ' ' ARG . 94.3 m-20 -68.12 -28.78 67.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 64.1 p -89.15 -49.66 6.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.472 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.3 m -81.07 -38.94 26.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -173.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 50.2 mm -92.16 140.54 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 0.0 110.821 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.89 131.94 86.66 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.257 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 89.2 Cg_exo -48.16 -33.28 21.0 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.792 2.995 . . . . 0.0 113.575 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.59 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.415 ' O ' HG12 ' B' ' 57' ' ' ILE . 11.7 pt20 -130.29 12.98 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.858 -176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 18.5 ptt180 -59.3 -41.11 88.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 111.067 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.02 -32.2 61.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.159 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.45 97.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -62.01 -41.45 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.324 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.17 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.968 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -60.64 -49.51 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.297 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -64.61 -30.64 71.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.148 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.42 -47.8 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.75 88.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.778 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -63.96 -46.81 83.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.831 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.55 84.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 0.0 110.629 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.459 HD12 HG23 ' A' ' 42' ' ' THR . 48.4 tp -57.03 -51.26 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.397 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.668 ' HA ' HG22 ' B' ' 69' ' ' ILE . 27.5 mt-30 -67.56 -32.75 73.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.271 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.3 t -69.43 -26.51 64.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 110.887 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.505 ' HB2' HG21 ' A' ' 42' ' ' THR . 28.0 m -88.42 -39.26 14.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.668 HG22 ' HA ' ' B' ' 66' ' ' GLN . 11.9 tt -71.79 -33.81 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.174 0.512 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -127.16 99.32 5.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.438 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.73 100.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 111.114 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -105.2 85.67 2.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -141.45 91.27 2.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.84 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.84 109.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.958 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -109.64 124.75 51.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.879 176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -91.9 -167.48 1.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.472 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.6 141.6 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -70.61 105.32 3.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.065 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -126.04 2.82 7.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.851 173.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 74.0 108.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.482 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -83.56 45.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.899 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -169.28 141.07 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.419 -0.809 . . . . 0.0 108.933 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.751 179.54 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.497 0.189 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.08 148.67 45.12 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.648 2.232 . . . . 0.0 111.309 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -85.78 132.86 34.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.805 0.336 . . . . 0.0 110.152 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.85 -19.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t 66.14 -168.95 0.2 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.577 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -165.28 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.149 0.499 . . . . 0.0 110.212 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -75.32 163.78 27.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.581 -177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.2 t -79.39 133.24 36.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.435 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.01 -28.09 64.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 34.7 mm-40 -59.62 -53.63 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.443 . . . . 0.0 110.575 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.5 -47.44 66.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.943 -176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 HD11 ' B' ' 32' ' ' LEU . 63.4 t -67.59 -55.64 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.897 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.27 -44.58 94.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.473 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.93 -38.81 92.5 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.854 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.86 -46.81 89.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -40.92 95.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.02 94.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.9 mm-40 -57.22 -46.01 83.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.716 177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.0 -48.5 73.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.86 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.5 t-20 -60.89 -44.53 96.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.788 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.0 t -65.69 -31.73 55.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.714 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.91 -56.02 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.38 -13.75 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.769 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 35.4 tttp -64.93 -36.3 83.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.648 173.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -96.84 -25.87 15.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.591 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 63.53 86.76 0.12 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.909 0.755 . . . . 0.0 110.925 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -115.46 147.51 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.452 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 29.4 Cg_exo -63.13 157.93 46.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.822 2.348 . . . . 0.0 112.085 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 4.0 m -62.27 -45.09 94.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.54 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.81 -39.37 91.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.269 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HB1' ' A' ' 28' ' ' ALA . 43.0 tp -63.91 -48.42 76.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.322 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -58.29 -42.13 85.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' THR . 92.4 mt -65.21 -39.13 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.894 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -67.36 -39.83 85.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.336 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' LEU . 77.6 t -61.56 -52.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.412 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.3 mt -61.78 -45.08 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.6 89.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.242 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.56 -41.1 98.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.0 ttt -58.54 -51.15 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.957 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 37' ' ' LEU . 97.9 t -63.25 -44.09 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.697 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.415 HG21 ' HB3' ' B' ' 68' ' ' SER . 85.9 m -58.1 -47.64 82.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.122 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -60.69 -47.69 85.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.68 -52.07 66.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.418 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.447 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 68.0 mt -59.15 -49.53 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.445 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -68.33 -31.57 71.07 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 p -95.02 -33.74 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 m -108.83 -7.89 15.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 61.5 mt -119.08 143.63 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.231 -0.293 . . . . 0.0 110.539 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . . . -55.08 132.24 68.32 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.815 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.1 Cg_exo -59.19 -28.79 88.69 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.427 2.751 . . . . 0.0 112.975 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.31 -2.78 33.3 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 9.9 pt20 -136.0 19.34 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.814 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 5.4 ptp85 -57.94 -42.77 85.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.2 -18.48 32.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.109 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.32 -42.45 88.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -68.42 -45.6 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.019 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.77 -47.56 85.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.818 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -60.12 -44.72 94.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.99 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -63.31 -43.77 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.73 -49.2 75.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.39 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.337 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -67.71 -28.64 67.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.36 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.49 69.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.082 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.98 -45.54 93.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.326 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -68.44 -14.84 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.029 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -98.71 -1.06 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 0.0 110.614 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -109.84 -43.96 3.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.452 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.4 mt -86.22 104.4 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 65.61 88.21 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.965 0.791 . . . . 0.0 109.305 -171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.83 119.2 6.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.113 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.53 119.08 13.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.877 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -130.91 91.64 3.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.76 173.57 11.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.975 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -130.25 161.53 30.98 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.9 tp -128.17 126.57 41.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.168 0.508 . . . . 0.0 111.446 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -150.23 143.73 25.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.791 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -104.11 110.47 22.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.313 . . . . 0.0 110.292 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -76.65 161.94 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -81.06 131.36 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.659 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -147.35 17.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.641 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -132.94 117.71 17.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.419 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.729 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 20.4 Cg_exo -65.12 99.01 0.33 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.904 2.402 . . . . 0.0 112.808 -177.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -134.96 -178.61 5.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.044 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -162.46 150.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.161 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.01 113.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.73 -30.2 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -116.94 174.19 6.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.882 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 33.0 t -58.5 116.03 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.302 0.376 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.7 -38.32 69.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.404 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 5.4 tp10 -65.82 -50.63 63.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.831 0.348 . . . . 0.0 110.451 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.54 -43.43 89.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 98.0 t -57.17 -45.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.536 177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.49 -41.34 80.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.878 HE21 ' HA ' ' B' ' 14' ' ' GLN . 0.0 OUTLIER -60.57 -44.65 95.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -46.5 76.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.864 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.93 -44.3 97.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.29 72.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.204 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.17 -41.47 70.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.74 -43.73 98.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.163 0.506 . . . . 0.0 110.261 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.24 -36.17 79.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.282 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.53 -47.72 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.615 0.245 . . . . 0.0 110.462 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.36 -46.38 92.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.78 -49.68 71.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 36.5 tt0 -68.99 -30.93 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.84 -174.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -72.64 -21.5 61.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 110.238 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -94.25 -43.26 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.231 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 44.7 mtmt 57.79 93.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.57 0.7 . . . . 0.0 112.37 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.84 156.1 44.27 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.894 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.92 141.56 36.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 112.274 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -59.7 -37.54 79.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.181 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.26 -48.41 71.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.767 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 12' ' ' VAL . 64.6 tp -69.61 -40.02 76.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.81 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -58.32 -43.33 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.761 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.01 -34.78 79.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -66.67 -50.68 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.384 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -60.98 -49.37 84.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.23 -38.93 91.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.48 -49.85 72.72 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.881 -0.675 . . . . 0.0 111.997 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.43 -39.51 91.05 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.258 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.1 ttt -59.72 -57.42 12.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.999 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 45' ' ' ILE . 96.1 t -58.91 -45.8 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.003 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.9 m -54.68 -50.97 66.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.097 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -66.51 -36.12 81.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.484 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.07 -49.29 78.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.795 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' B' ' 49' ' ' ILE . 40.7 mm -63.98 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.718 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -72.63 -40.0 66.76 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.5 p -102.23 -50.2 3.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -171.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.2 m -77.23 -11.41 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.695 -173.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' B' ' 45' ' ' ILE . 65.5 mt -113.69 146.0 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.133 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -51.78 123.95 25.94 Favored Pre-proline 0 C--O 1.233 0.221 0 O-C-N 123.638 0.586 . . . . 0.0 111.573 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.646 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 Cg_exo -53.49 -32.99 65.62 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.592 2.862 . . . . 0.0 113.584 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.77 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' B' ' 50' ' ' ALA . 29.0 pt20 -129.71 19.19 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.595 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' B' ' 51' ' ' PRO . 60.8 mtp180 -55.9 -48.35 75.79 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 111.637 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -71.31 -35.93 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 110.778 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.91 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 HD13 ' B' ' 49' ' ' ILE . 50.2 mm -69.53 -38.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.448 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.03 83.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -65.61 -38.45 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.836 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.8 m -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.8 -44.78 84.66 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.13 93.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.435 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' B' ' 63' ' ' ARG . 16.3 tpp85 -58.21 -49.43 77.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.657 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.482 ' O ' HG13 ' B' ' 69' ' ' ILE . 51.6 tp -57.9 -53.02 62.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.402 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -55.93 -42.6 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.773 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -68.31 -29.65 68.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.415 ' HB3' HG21 ' A' ' 42' ' ' THR . 20.2 m -81.18 -30.43 34.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.742 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 65' ' ' LEU . 84.8 mt -67.02 -55.28 18.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.427 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.31 149.04 29.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.015 0.436 . . . . 0.0 110.477 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.87 175.5 7.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.867 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -133.68 168.12 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.692 0.758 . . . . 0.0 109.043 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.03 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.674 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -129.8 146.5 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.21 86.54 1.92 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.216 0.531 . . . . 0.0 109.985 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.58 107.24 12.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.244 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -77.06 -20.16 56.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.025 -169.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 179.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 110.95 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -130.62 119.82 23.05 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -110.44 77.11 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.897 0.856 . . . . 0.0 110.26 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -168.3 131.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.815 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.549 176.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.704 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.704 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 29.0 Cg_endo -64.59 -179.53 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 121.967 1.778 . . . . 0.0 111.018 171.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.11 77.58 7.99 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.93 83.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 122.084 0.945 . . . . 0.0 111.792 -175.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -84.04 163.55 19.82 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.683 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 2.6 mpt_? -76.19 -2.46 31.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.251 0.548 . . . . 0.0 110.546 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -112.07 -81.37 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.692 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -156.62 135.74 11.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.995 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.51 -48.31 77.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.242 0.544 . . . . 0.0 110.593 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 17.6 mt-10 -55.25 -56.4 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.301 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.13 -46.09 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.296 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG13 HG22 ' B' ' 36' ' ' VAL . 77.4 t -66.95 -40.01 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.03 -39.85 83.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.679 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.39 -41.17 98.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.76 0.314 . . . . 0.0 110.595 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD22 HG11 ' B' ' 36' ' ' VAL . 2.4 tt -66.74 -39.68 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.22 -52.3 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.461 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.77 73.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.9 tp10 -61.18 -50.76 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.284 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.78 -42.29 99.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.54 -36.17 83.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.525 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.79 -44.15 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.321 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 22' ' ' VAL . 97.2 t -59.01 -48.14 87.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.62 -53.47 57.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -64.54 -24.9 67.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.961 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.18 -20.2 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.868 0.366 . . . . 0.0 110.718 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 59.6 m-70 -109.24 -21.74 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 176.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 67.09 90.45 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.077 0.861 . . . . 0.0 110.625 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -122.51 122.89 27.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.495 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 23.4 Cg_exo -65.31 170.98 9.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.946 2.43 . . . . 0.0 112.259 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.3 m -60.6 -50.61 72.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.915 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.67 -45.95 90.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.727 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 HG22 ' B' ' 12' ' ' VAL . 66.1 tp -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.064 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 49.5 m -60.08 -44.93 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.416 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 30' ' ' THR . 89.3 mt -62.65 -37.2 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.952 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.49 -43.57 93.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.46 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' LEU . 65.5 t -65.78 -46.57 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.1 mt -60.43 -42.62 96.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.68 97.09 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.215 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -65.39 -37.99 88.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.405 0.622 . . . . 0.0 110.174 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttt -63.79 -53.87 44.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.196 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' LEU . 95.7 t -60.69 -45.68 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.818 -176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' HB2' ' B' ' 68' ' ' SER . 8.4 p -59.78 -46.34 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.745 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -71.04 -33.88 70.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.055 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.91 -44.23 91.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 41' ' ' VAL . 65.5 mt -66.72 -46.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.29 -26.68 68.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -89.65 -31.31 17.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.918 0.39 . . . . 0.0 111.635 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.462 ' HB2' HD12 ' A' ' 49' ' ' ILE . 15.0 m -87.92 -38.59 15.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.132 0.491 . . . . 0.0 110.796 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 48' ' ' SER . 3.5 mp -114.82 131.23 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.7 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 150.16 43.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.641 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 33.2 Cg_exo -60.93 83.49 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.949 2.432 . . . . 0.0 113.109 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.87 -70.67 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.166 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -76.91 -6.55 52.93 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.266 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 35.5 ptt180 -52.64 -46.53 67.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.92 -35.13 74.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.589 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.27 96.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.44 -38.34 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.563 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' B' ' 69' ' ' ILE . . . -59.77 -49.06 79.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.865 0.364 . . . . 0.0 110.638 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.79 -34.4 77.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.741 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.8 -45.72 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.33 97.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 63' ' ' ARG . 7.6 tpt180 -61.76 -50.95 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.049 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.85 88.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 69' ' ' ILE . 55.9 tp -56.48 -56.22 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.469 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -66.81 -19.17 65.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.629 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 m -86.53 -21.38 26.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 0.0 110.697 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.3 m -86.28 -25.44 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.197 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.516 HG12 HG23 ' B' ' 42' ' ' THR . 61.4 mt -77.52 87.58 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.359 0.6 . . . . 0.0 110.271 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -167.64 121.03 0.93 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.632 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.56 16.52 13.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.344 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 70.25 -61.72 0.45 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.231 0.957 . . . . 0.0 110.955 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 37.0 ttpt -171.61 133.16 0.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.68 124.3 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.452 0.47 . . . . 0.0 110.185 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.95 101.77 5.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.217 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.2 tp -99.71 107.79 19.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.854 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.14 -13.28 44.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.312 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -67.66 106.26 2.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.079 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -77.71 131.34 37.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.531 . . . . 0.0 110.663 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -155.11 117.64 4.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.544 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -95.8 148.83 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -105.96 153.0 22.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.639 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.783 176.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -86.56 155.52 9.1 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.7 2.267 . . . . 0.0 112.987 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -90.22 101.77 14.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.65 HD12 ' H ' ' B' ' 4' ' ' ILE . 3.6 mp -52.13 110.0 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.21 0 O-C-N 123.597 0.56 . . . . 0.0 110.466 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -85.88 156.72 20.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.776 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -79.39 -18.34 52.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.478 0.656 . . . . 0.0 109.331 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -112.67 179.77 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.41 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 12' ' ' VAL . 45.8 t -65.88 123.3 19.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.637 0.255 . . . . 0.0 110.342 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -57.66 -26.72 62.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 14' ' ' GLN . 48.0 mm-40 -57.79 -67.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.932 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -62.8 -33.59 75.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.444 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' LEU . 89.6 t -59.63 -52.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -76.31 -31.62 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.05 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 30.8 mm-40 -61.09 -38.3 85.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.537 0.208 . . . . 0.0 110.458 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 71.9 mt -60.74 -55.21 35.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.273 175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 61.4 tp -58.05 -46.22 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.333 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.36 91.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' O ' HG23 ' B' ' 22' ' ' VAL . 22.6 tt0 -71.75 -35.7 70.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.827 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 79.0 mt -60.16 -47.13 87.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.307 175.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 94.9 mt -61.73 -39.48 91.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.908 0.385 . . . . 0.0 110.225 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -59.59 -38.27 80.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.924 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 22' ' ' VAL . 60.1 t -67.76 -39.78 82.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.45 -39.55 94.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 46.8 mt-10 -70.92 -24.54 62.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.006 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 38.3 ttmt -60.21 -49.41 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 110.202 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -90.66 -28.33 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 31.3 mmtp 62.15 85.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.439 0.637 . . . . 0.0 109.906 -170.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.73 126.41 28.58 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.103 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.96 169.3 12.07 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.847 2.364 . . . . 0.0 111.866 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -59.54 -43.88 93.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.88 -50.98 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.46 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 36' ' ' VAL . 59.9 tp -65.91 -47.22 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 p -61.99 -47.38 85.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.518 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.87 -36.99 82.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.551 0.215 . . . . 0.0 111.097 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttp -64.08 -44.12 93.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 12' ' ' VAL . 64.6 t -68.37 -45.63 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.491 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 33' ' ' SER . 93.2 mt -60.79 -41.11 94.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.037 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.78 91.84 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.934 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -64.51 -45.51 86.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.057 0.456 . . . . 0.0 110.1 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -57.52 -56.31 23.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.694 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.58 -47.55 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.239 -176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.516 HG23 HG12 ' A' ' 69' ' ' ILE . 33.7 m -58.19 -45.79 86.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.3 -48.1 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -59.35 -45.92 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.6 -175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 49' ' ' ILE . 62.1 mt -65.06 -52.01 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.31 -177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 10.6 t -81.96 -15.08 55.0 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.961 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -102.55 -50.63 3.52 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.663 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 45' ' ' ILE . 10.5 tp -93.29 169.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.447 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -58.72 120.44 45.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -53.46 -32.57 63.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.393 2.729 . . . . 0.0 113.115 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -19.95 66.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.798 0.332 . . . . 0.0 111.474 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.492 ' O ' HG12 ' B' ' 57' ' ' ILE . 24.4 mt-30 -111.2 5.1 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -62.18 -30.02 70.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 111.039 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -72.8 -39.88 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 110.243 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.03 74.75 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.757 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 53' ' ' GLN . 49.1 mm -64.49 -43.52 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.793 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.26 93.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.033 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -59.44 -48.43 81.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.225 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 16.1 m -65.3 -41.09 94.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.977 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -60.69 -40.39 92.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.15 94.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -64.3 -46.15 84.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.03 -46.41 89.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.39 -51.96 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -61.69 -37.78 85.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.228 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.1 t -73.27 -29.33 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.258 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.469 ' HB2' HG21 ' A' ' 42' ' ' THR . 41.1 m -71.57 -37.05 71.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 0.0 110.751 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 58' ' ' ALA . 58.1 mt -83.43 86.64 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.481 0.657 . . . . 0.0 110.002 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.96 -54.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.524 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 63.94 -170.98 0.18 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -135.98 76.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.268 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 73.54 129.78 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.438 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.05 -176.03 3.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.987 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -109.11 135.39 50.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.1 tp -98.33 89.88 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.73 -58.71 3.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.304 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.62 107.17 19.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -59.64 -32.67 70.66 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 68.76 116.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.268 0.556 . . . . 0.0 111.301 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -64.57 132.65 50.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.099 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -87.04 -70.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.43 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.243 0.759 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.509 -178.338 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 70.9 mtm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 23.4 Cg_exo -64.3 101.74 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.607 2.204 . . . . 0.0 111.678 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 64.45 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.961 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.3 tp 178.83 158.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -121.9 -72.3 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 56.86 34.1 24.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.68 0.752 . . . . 0.0 110.928 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -100.4 131.08 46.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.425 172.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.3 m -62.96 116.88 5.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -52.29 -51.83 56.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.577 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 4.1 mp0 -63.08 -23.81 67.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.731 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -78.85 -41.07 30.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.377 0.608 . . . . 0.0 109.7 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 HG22 ' B' ' 36' ' ' VAL . 90.4 t -67.12 -47.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.347 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 47.6 mt-10 -67.98 -25.48 65.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 35.8 tt0 -61.14 -51.23 69.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.249 0.547 . . . . 0.0 109.863 175.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' B' ' 22' ' ' VAL . 8.6 tt -68.7 -41.34 79.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.761 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 13' ' ' GLU . 63.5 tp -57.79 -45.43 86.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.6 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 22' ' ' VAL . 51.3 mt-10 -67.96 -35.4 78.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.229 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -47.51 77.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.249 0.547 . . . . 0.0 109.539 177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.58 -32.34 73.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.082 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 24.7 t-20 -60.16 -38.86 84.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.524 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' GLU . 44.8 t -59.86 -49.59 83.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.32 -48.41 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -69.67 -45.69 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.716 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -66.87 -35.5 80.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.525 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -85.71 -16.4 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.438 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 58.95 78.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.636 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.59 127.18 27.62 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.548 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.48 161.66 26.93 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.597 2.198 . . . . 0.0 111.515 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.7 m -56.15 -42.0 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.418 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 -48.78 80.31 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.971 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.64 -42.31 98.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.5 m -59.64 -50.11 75.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.991 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.03 -36.74 85.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.097 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.77 -51.05 68.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.316 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG21 HD23 ' B' ' 15' ' ' LEU . 94.4 t -65.87 -45.78 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.058 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 86.3 mt -61.54 -39.8 92.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.694 0.283 . . . . 0.0 110.874 179.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.97 -46.26 94.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.016 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.91 -38.74 89.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.124 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.73 -52.16 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.663 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.8 t -60.7 -45.13 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.546 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.421 HG23 HG12 ' B' ' 69' ' ' ILE . 90.6 m -58.12 -52.13 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.288 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -67.21 -38.44 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.493 -176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.74 -49.57 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.612 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 63.9 mt -68.25 -32.18 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.22 -32.25 71.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.834 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 p -96.24 -45.01 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -84.09 -39.32 19.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.634 0.254 . . . . 0.0 111.536 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.6 mm -89.43 135.47 25.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 0.0 110.375 -176.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 134.9 64.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.153 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.87 -12.26 24.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.338 2.692 . . . . 0.0 113.129 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.05 -11.49 47.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.526 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -135.87 3.9 2.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.739 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.2 ptt180 -61.12 -41.43 96.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.93 -33.43 68.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.862 0.363 . . . . 0.0 110.366 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.91 -47.19 72.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tp -66.78 -36.24 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.622 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.63 76.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.151 0.5 . . . . 0.0 110.782 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -63.78 -39.0 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.799 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -75.49 -27.81 58.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -42.91 83.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -61.29 -37.98 85.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.432 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -47.56 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.641 176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.38 73.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 69' ' ' ILE . 58.1 tp -58.36 -51.06 71.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.863 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.01 -33.5 74.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.097 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 m -66.53 -32.58 74.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 m -85.71 -28.67 24.5 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.112 0.482 . . . . 0.0 110.799 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' B' ' 54' ' ' ARG . 17.8 mm -61.34 -41.11 88.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.016 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -73.43 117.65 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.828 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HB3' HH12 ' B' ' 54' ' ' ARG . 30.9 tt0 -133.3 94.11 3.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.039 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -135.6 103.6 5.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -79.44 -58.6 3.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.708 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -155.1 53.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 66.9 m80 71.49 179.97 0.23 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.27 -177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.9 101.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 0.0 111.43 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -99.75 8.23 44.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -74.47 145.71 43.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.63 120.46 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.431 . . . . 0.0 109.869 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -122.56 99.85 6.62 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.147 -173.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -73.82 148.68 42.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -43.92 -60.36 1.87 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.902 0.751 . . . . 0.0 110.847 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.467 170.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.684 0.278 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.62 -61.21 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.7 2.267 . . . . 0.0 111.992 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -105.18 148.35 27.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 4' ' ' ILE . 22.9 pt -81.8 94.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.732 0.777 . . . . 0.0 111.251 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -94.49 89.25 5.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.457 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -128.09 84.66 2.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.462 0.649 . . . . 0.0 110.123 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -117.12 157.56 25.72 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.567 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -55.02 125.73 21.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.407 0.442 . . . . 0.0 110.464 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' B' ' 13' ' ' GLU . 33.7 t70 -55.54 -45.1 77.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -176.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.5 mp0 -59.87 -40.22 87.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.552 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.23 -44.06 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.98 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -43.26 95.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.29 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 9' ' ' ASP . 51.0 mt-10 -56.15 -57.68 11.14 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.64 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -57.6 -39.87 77.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.812 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.547 HD23 HG21 ' A' ' 36' ' ' VAL . 48.8 tp -65.77 -49.14 69.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.491 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.34 -36.2 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.11 -45.8 93.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG22 ' A' ' 22' ' ' VAL . 34.0 tt0 -75.93 -27.25 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.327 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.23 -50.02 75.63 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.375 0.607 . . . . 0.0 109.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.78 -25.65 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.722 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' GLU . 27.2 t-20 -61.5 -46.18 91.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.503 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 15' ' ' LEU . 87.6 t -65.39 -41.19 90.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.109 0.481 . . . . 0.0 110.432 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.65 -42.96 98.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.902 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -76.13 -25.78 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.034 0.445 . . . . 0.0 110.775 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -62.33 -50.97 69.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -98.47 -19.82 17.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.633 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' B' ' 27' ' ' LYS . 23.3 ttmm 64.06 93.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.697 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.02 130.18 24.89 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.0 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.01 161.96 31.18 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.893 2.395 . . . . 0.0 112.047 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.532 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 51.8 m -54.14 -42.86 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.22 -55.64 19.89 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.13 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 36' ' ' VAL . 55.3 tp -65.19 -40.48 94.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.764 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.8 m -59.54 -40.09 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 30' ' ' THR . 90.1 mt -62.66 -40.4 96.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.362 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 81.6 mtp -64.09 -47.01 81.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.606 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 12' ' ' VAL . 57.9 t -60.54 -54.27 37.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -63.25 -42.11 99.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.4 -46.27 94.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.188 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -65.33 -39.68 92.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.956 0.408 . . . . 0.0 110.107 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -62.79 -49.37 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.285 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 45' ' ' ILE . 82.2 t -62.13 -46.79 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.8 m -57.39 -43.6 83.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.796 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.35 -48.2 80.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.85 -41.95 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.283 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' B' ' 49' ' ' ILE . 75.4 mt -65.48 -41.35 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.488 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.28 -21.53 45.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.642 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 35.1 p -99.06 -63.66 1.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.6 m -79.23 -26.23 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.277 -173.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' B' ' 45' ' ' ILE . 34.6 mt -100.05 160.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 117.34 29.86 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 -5.97 17.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.907 2.405 . . . . 0.0 113.311 -171.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.95 -27.46 28.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -106.71 22.39 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.143 0.497 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 71' ' ' GLU . 9.9 ptp180 -56.1 -36.65 68.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.413 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -71.18 -37.74 72.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.615 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.27 98.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.44 . . . . 0.0 110.417 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.532 HG13 HG21 ' B' ' 49' ' ' ILE . 47.3 mm -66.18 -49.66 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.288 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.99 94.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.257 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -63.44 -42.1 98.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.1 m -64.52 -44.28 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.531 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.95 -43.52 92.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.817 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -59.89 -49.72 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -34.85 78.91 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.51 91.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.282 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 53.9 mt-30 -58.73 -34.98 71.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.03 0.443 . . . . 0.0 111.02 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -83.82 -29.01 27.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.4 t -70.37 -45.42 66.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.197 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.421 HG12 HG23 ' A' ' 42' ' ' THR . 25.4 mt -85.34 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 122.314 1.054 . . . . 0.0 110.094 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.6 86.24 1.87 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.289 -1.323 . . . . 0.0 107.695 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -100.29 89.81 4.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.926 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -122.03 129.22 52.24 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.386 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -115.22 83.02 1.84 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.85 -64.07 0.34 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.144 0.903 . . . . 0.0 110.782 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -169.09 144.72 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.77 79.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.297 0.57 . . . . 0.0 111.483 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -154.63 91.16 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 172.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -111.82 -31.28 7.0 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.822 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -134.82 129.38 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.507 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -118.89 108.75 15.18 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.255 0.55 . . . . 0.0 110.935 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.01 161.18 31.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.675 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -88.36 147.43 24.75 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' B' ' 83' ' ' HIS . 1.6 p80 . . . . . 0 C--O 1.244 0.8 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.505 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.541 0.21 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.92 130.49 13.4 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.314 2.009 . . . . 0.0 111.483 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -105.03 91.44 3.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.534 0.683 . . . . 0.0 110.464 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.9 pt -95.56 143.88 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.701 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.471 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . 19.9 p -99.25 -48.6 4.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.749 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 21.9 mtt180 46.65 55.3 7.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.655 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' HD2' ' HB2' ' A' ' 5' ' ' SER . 95.0 m-85 -100.86 165.71 11.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 172.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 m -60.23 109.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.008 0.432 . . . . 0.0 110.417 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.63 -30.66 71.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.579 -175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.38 -41.5 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.119 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -73.22 -32.74 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.469 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.54 -45.77 96.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.7 -49.67 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.513 174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 17.4 mm-40 -62.7 -45.29 93.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD13 HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -59.43 -45.74 90.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.417 -177.118 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.66 -45.02 90.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.68 98.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.267 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 14' ' ' GLN . 46.3 mt-10 -63.88 -45.8 87.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.235 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' B' ' 19' ' ' LEU . 7.8 mp -63.7 -43.89 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.24 -33.43 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.23 -53.92 45.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.647 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.33 -35.7 68.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.55 -55.96 28.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.47 -20.87 58.52 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.57 -43.38 97.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.992 0.425 . . . . 0.0 110.024 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -79.99 -29.26 39.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? 65.86 97.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.21 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.48 29.82 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.851 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.26 157.58 29.87 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.604 2.203 . . . . 0.0 111.659 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -58.41 -39.93 81.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.02 -53.17 56.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.481 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.9 tp -66.35 -39.4 89.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.979 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 48.7 m -58.34 -44.09 88.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.987 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.91 -38.6 91.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.8 tmm? -64.64 -45.02 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.881 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 12' ' ' VAL . 96.0 t -61.18 -47.39 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.0 mt -59.42 -49.88 76.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.756 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.11 99.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.191 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -61.45 -46.43 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.057 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.31 -51.06 71.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.123 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.3 t -59.54 -44.21 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.32 -50.33 73.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -64.73 -44.2 90.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.207 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 30' ' ' THR . 6.1 tt -57.78 -53.54 57.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.409 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.645 HG22 ' HB2' ' A' ' 54' ' ' ARG . 62.7 mt -68.14 -34.21 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.202 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -72.56 -30.43 64.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.7 p -97.16 -50.69 4.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.5 m -72.07 -36.26 69.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 111.62 -176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.619 HD12 HG23 ' A' ' 45' ' ' ILE . 57.3 mt -102.76 141.4 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 -172.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.63 94.08 Favored Pre-proline 0 C--O 1.236 0.347 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.333 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' CD ' ' A' ' 54' ' ' ARG . 43.8 Cg_exo -57.52 -23.06 54.26 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.179 2.586 . . . . 0.0 112.659 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.75 86.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.053 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -123.62 5.99 8.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.645 ' HB2' HG22 ' A' ' 45' ' ' ILE . 27.3 ptt180 -74.13 -20.6 60.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.355 -177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.65 -40.15 42.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.89 93.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.641 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.589 HD12 HG21 ' A' ' 49' ' ' ILE . 78.7 mt -65.57 -47.27 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.9 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.56 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.182 0.515 . . . . 0.0 110.791 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.43 -39.01 71.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.529 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -65.87 -36.58 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.967 0.413 . . . . 0.0 110.204 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.12 -42.05 97.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.135 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.1 79.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.638 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.12 -48.45 78.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.005 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.42 -46.81 84.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.46 -21.18 64.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.335 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -90.14 -14.21 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.765 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.7 m -93.74 -46.92 7.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.913 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' C ' HD22 ' A' ' 70' ' ' ASN . 61.7 mt -84.82 90.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.233 0.54 . . . . 0.0 110.153 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.41 HD22 ' C ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -123.7 -57.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.126 178.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -119.41 123.83 45.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.74 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.25 -44.74 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt 46.57 80.4 0.05 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 114.68 -1.146 . . . . 0.0 111.696 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 102.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.2 t60 65.37 -83.66 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.964 0.79 . . . . 0.0 111.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.6 tp 172.85 160.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.35 153.08 24.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.99 -3.04 12.16 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.192 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.52 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.959 0.787 . . . . 0.0 111.872 171.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -87.14 110.15 19.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.524 0.678 . . . . 0.0 110.47 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -125.68 -19.1 5.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -103.92 125.61 50.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.508 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.452 175.645 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -87.33 150.31 7.87 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.809 2.339 . . . . 0.0 112.02 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.15 130.27 19.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.68 79.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.568 0.699 . . . . 0.0 110.71 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -75.85 10.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.248 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -84.92 68.79 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.748 0.785 . . . . 0.0 110.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.414 ' CD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-85 -96.94 -175.64 3.32 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.092 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG23 ' B' ' 12' ' ' VAL . 23.8 t -85.45 125.38 32.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.533 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.82 -54.63 39.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.4 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -57.39 -39.37 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.581 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -68.57 -49.32 60.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.017 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.482 HG13 HG22 ' A' ' 36' ' ' VAL . 96.0 t -66.69 -51.91 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.596 -176.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.99 -39.88 79.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.042 -173.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -70.99 -31.24 67.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.641 0.257 . . . . 0.0 111.198 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.91 -51.09 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.34 -38.85 85.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.215 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.96 98.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.627 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.3 mt-10 -69.67 -31.52 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' HG ' ' A' ' 19' ' ' LEU . 10.3 mp -66.82 -40.82 88.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.923 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.69 -31.69 70.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.124 0.488 . . . . 0.0 109.992 173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 24.4 t-20 -60.47 -45.86 92.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.508 176.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 18' ' ' GLU . 89.7 t -61.29 -43.01 95.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.608 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' B' ' 27' ' ' LYS . 94.1 mt -63.58 -30.74 71.81 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.44 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -85.18 -42.03 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.613 0.244 . . . . 0.0 110.585 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 3.4 tppp? -53.59 -54.31 39.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.716 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -83.98 -25.47 29.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.789 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 23' ' ' LEU . 22.1 ttmm 66.4 96.35 0.06 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.575 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -113.34 140.42 24.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.266 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 23.2 Cg_exo -64.72 152.75 80.83 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.676 2.251 . . . . 0.0 111.511 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.419 HG23 HD21 ' A' ' 44' ' ' LEU . 24.0 m -56.25 -37.44 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.04 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.84 -40.48 88.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.819 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 7' ' ' TYR . 52.6 tp -75.03 -42.58 56.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.6 m -56.39 -46.36 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.59 -36.16 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.739 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.46 -48.89 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.575 HG11 HD12 ' A' ' 15' ' ' LEU . 76.0 t -60.58 -52.42 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -60.99 -42.61 98.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.96 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.6 97.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.941 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.42 -45.21 92.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.114 0.483 . . . . 0.0 110.008 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.2 -50.56 72.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.7 t -60.78 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.653 0.263 . . . . 0.0 110.879 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -56.27 -46.63 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.169 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -69.47 -38.57 77.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.719 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -59.8 -48.54 81.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 -177.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.607 ' HA ' HD13 ' B' ' 49' ' ' ILE . 65.4 mt -68.26 -32.47 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.302 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -79.25 -20.05 49.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 p -110.99 -55.07 2.54 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -81.11 -34.65 32.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.956 0.408 . . . . 0.0 110.872 -174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' B' ' 45' ' ' ILE . 2.0 mp -85.01 141.99 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.485 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.4 120.04 32.78 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.392 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 53.1 Cg_exo -56.57 -16.71 19.71 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.324 2.683 . . . . 0.0 113.48 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.71 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.657 0.265 . . . . 0.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' B' ' 50' ' ' ALA . 22.4 pt20 -118.43 18.82 13.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 0.0 111.208 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -58.93 -41.4 87.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.415 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -38.67 55.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.163 -174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.75 83.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.513 HD12 HG21 ' B' ' 49' ' ' ILE . 60.7 mt -67.25 -36.14 75.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.68 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.71 72.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.011 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.18 -37.93 89.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.641 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.1 m -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.653 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.75 -43.81 97.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.396 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.93 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.247 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -66.44 -39.6 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.11 93.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.937 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.93 -46.18 91.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.388 177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.78 -36.18 83.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.621 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.0 p -82.26 -26.19 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 111.652 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 55.9 m -74.99 -30.05 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.426 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.73 106.24 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.04 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.43 171.61 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.924 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.459 ' HG2' ' H ' ' B' ' 72' ' ' ASP . 23.3 tt0 -87.36 177.37 7.15 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.459 ' H ' ' HG2' ' B' ' 71' ' ' GLU . 22.3 t70 -76.35 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.0 0.429 . . . . 0.0 111.244 -176.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -114.55 2.68 14.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.42 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.34 -84.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.251 -171.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -159.54 -66.72 0.08 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -133.34 -169.43 2.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.197 -0.911 . . . . 0.0 108.945 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' B' ' 77' ' ' GLU . 1.3 pp20? -72.59 130.14 39.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.211 0.529 . . . . 0.0 110.649 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -140.06 52.01 1.69 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.494 0.664 . . . . 0.0 109.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -77.37 118.71 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.043 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -92.97 90.99 7.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.791 0.805 . . . . 0.0 111.625 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -112.18 -33.37 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -74.15 135.55 42.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.468 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.383 175.758 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.565 0.221 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.29 -38.0 22.25 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.539 2.16 . . . . 0.0 111.219 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -142.97 131.39 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.329 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.906 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -79.2 84.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.626 0.727 . . . . 0.0 110.784 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -71.83 161.8 30.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -75.67 -37.57 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -71.26 140.26 50.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.2 172.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 p -56.71 135.66 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.847 -174.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.62 -28.53 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.47 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -53.27 -51.26 62.85 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.513 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -70.47 -40.02 73.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.389 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 HG22 ' B' ' 36' ' ' VAL . 94.2 t -61.69 -51.79 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.832 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -63.26 -40.7 98.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.248 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -59.57 -53.24 60.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -59.2 -48.44 81.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.59 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.145 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -45.33 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.349 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.4 mt-10 -66.85 -43.54 83.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.47 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.89 -45.52 94.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.548 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 51.5 tp -63.87 -41.13 97.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.902 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.8 t30 -62.04 -37.19 83.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.6 t -58.21 -46.0 88.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.11 -43.79 94.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.408 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 21.9 mm-40 -59.69 -39.88 86.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.786 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 50.7 mtmt -62.41 -21.2 65.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 111.245 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 90.0 m-70 -102.36 -24.55 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.982 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 51.43 70.47 0.54 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.782 0.676 . . . . 0.0 110.337 -172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -86.88 146.9 41.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.081 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.63 152.56 77.21 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.662 2.242 . . . . 0.0 111.53 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -51.97 -45.28 64.36 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.739 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.94 -47.16 86.06 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.749 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HG22 ' B' ' 12' ' ' VAL . 52.8 tp -62.68 -47.86 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 -176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -57.22 -43.48 82.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.045 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.63 -43.7 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 32' ' ' LEU . 93.6 t -64.58 -47.6 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.562 0.22 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 41' ' ' VAL . 78.8 mt -64.23 -40.89 96.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.913 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.55 90.35 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.851 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.535 ' OD1' HD11 ' B' ' 16' ' ' LEU . 24.5 t-20 -57.44 -47.37 81.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.183 0.516 . . . . 0.0 110.123 175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -57.38 -52.73 64.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.242 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.0 t -60.58 -44.58 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.853 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.9 m -57.87 -52.25 66.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.079 0.466 . . . . 0.0 110.682 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.65 -35.7 81.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.084 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -63.12 -42.25 99.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.686 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.9 mt -69.14 -45.06 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.519 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.763 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 6.8 m-20 -61.47 -34.76 76.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.982 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.9 p -81.78 -44.33 17.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.705 0.288 . . . . 0.0 111.748 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 m -76.35 -46.85 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.44 133.31 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.21 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.88 145.21 84.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 24.1 Cg_exo -64.83 74.89 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.305 2.67 . . . . 0.0 112.96 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.44 -61.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.758 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -106.63 30.01 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.851 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 21.0 mtm180 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.315 -0.24 . . . . 0.0 110.623 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.1 -41.67 88.67 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.68 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.48 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.348 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.0 mm -59.64 -46.12 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.61 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.95 81.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.248 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -72.48 -38.62 68.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.559 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.378 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -72.67 -44.29 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.819 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.9 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.235 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.9 mmt180 -64.17 -35.07 79.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.832 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -36.84 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.043 0.449 . . . . 0.0 110.096 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.15 -50.8 66.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.343 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.64 -36.25 69.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 111.32 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -76.66 -15.07 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.795 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.1 p -110.46 -36.05 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG21 ' B' ' 45' ' ' ILE . 14.1 tt -66.97 -18.39 24.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.218 0.533 . . . . 0.0 110.952 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.446 HD22 ' HA ' ' A' ' 70' ' ' ASN . 3.3 t-20 -94.66 76.28 3.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 169.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.69 99.28 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.179 0.99 . . . . 0.0 112.131 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -166.92 97.97 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.328 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -84.03 -62.63 1.52 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.76 87.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.372 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -80.77 84.32 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.872 0.844 . . . . 0.0 110.814 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 tt -89.54 122.76 33.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.426 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -121.63 -178.61 3.86 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.647 -177.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 56.8 m80 74.39 98.91 0.07 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 110.713 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -85.52 -21.13 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.11 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -88.47 109.75 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -86.91 63.06 7.75 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.86 0.838 . . . . 0.0 110.004 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -160.17 138.99 10.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.336 -1.302 . . . . 0.0 108.14 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.52 -0.752 . . . . 0.0 109.828 -178.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.74 -40.88 42.24 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.546 2.164 . . . . 0.0 111.278 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -126.17 128.7 47.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.9 pt -103.68 138.69 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.1 0.476 . . . . 0.0 111.162 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 128.5 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.403 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -67.78 -32.15 72.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.179 0.514 . . . . 0.0 110.232 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -75.97 177.46 7.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.536 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.431 ' O ' HG23 ' B' ' 12' ' ' VAL . 17.9 m -63.77 105.56 0.84 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.547 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.51 -44.23 65.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.21 0.528 . . . . 0.0 110.063 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.12 -50.59 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.078 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -68.38 -37.55 80.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.453 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 32' ' ' LEU . 96.0 t -61.49 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.687 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.89 -32.51 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' B' ' 18' ' ' GLU . 8.4 tt0 -68.07 -48.18 66.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.55 -41.8 86.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.174 0.511 . . . . 0.0 110.253 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.535 HD11 ' OD1' ' A' ' 39' ' ' ASN . 3.3 tt -58.87 -45.49 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.562 176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.74 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.129 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 14' ' ' GLN . 47.3 mt-10 -61.93 -43.1 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.741 0.305 . . . . 0.0 110.945 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.56 -40.68 95.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.81 -37.77 82.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.35 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 7.5 m120 -56.81 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.17 -44.13 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.435 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -50.06 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.628 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -10.76 59.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 1.9 ttmm -80.0 -35.57 37.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 109.993 177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -92.77 -29.57 15.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.379 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 54.05 79.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.659 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.523 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -106.99 137.86 19.64 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.907 177.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.68 150.03 30.09 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.843 2.362 . . . . 0.0 112.199 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -55.13 -41.28 71.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.453 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.74 -51.54 69.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.523 HD23 ' HB1' ' B' ' 28' ' ' ALA . 62.1 tp -60.24 -43.98 95.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.323 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -61.74 -51.77 66.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.26 -32.48 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.631 0.253 . . . . 0.0 111.463 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.0 ttp -67.05 -47.87 70.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.733 0.301 . . . . 0.0 110.228 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 12' ' ' VAL . 87.8 t -64.83 -49.42 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.643 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.488 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.6 mt -59.0 -45.44 90.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.05 59.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.061 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.7 -39.61 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.502 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.97 -46.74 86.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.858 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 37' ' ' LEU . 92.0 t -61.91 -45.36 98.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.609 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 69' ' ' ILE . 63.3 m -55.14 -51.06 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -39.27 93.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.944 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.8 -46.35 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.571 HG21 HD11 ' A' ' 69' ' ' ILE . 71.5 mt -68.45 -38.75 79.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.712 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.65 -30.7 67.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.71 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p -100.75 -37.95 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -89.96 -26.66 20.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.822 0.344 . . . . 0.0 111.745 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -106.67 142.74 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.453 ' HB3' HE22 ' B' ' 53' ' ' GLN . . . -54.02 130.79 58.76 Favored Pre-proline 0 C--O 1.237 0.425 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.259 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 16.7 Cg_exo -69.98 51.67 0.99 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.939 3.093 . . . . 0.0 113.395 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.63 -79.52 0.4 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.35 . . . . 0.0 110.28 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' B' ' 50' ' ' ALA . 4.9 pm0 -83.02 21.59 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.586 ' HD3' ' HA ' ' B' ' 51' ' ' PRO . 23.7 ptt-85 -62.2 -33.02 73.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.499 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.61 -39.17 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.44 73.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.583 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.75 -44.3 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.065 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.9 81.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.96 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' B' ' 63' ' ' ARG . 5.5 m120 -60.18 -51.63 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.63 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -64.96 -30.67 71.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.867 0.365 . . . . 0.0 110.963 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.17 -43.64 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -63.16 -36.51 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.703 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 59' ' ' ASN . 52.5 mmm-85 -62.77 -45.49 92.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.51 98.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.078 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.76 -44.08 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.789 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 29.8 mm-40 -61.01 -35.6 77.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.318 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 40.4 p -83.84 -10.72 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.752 0.311 . . . . 0.0 111.53 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.9 t -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.589 0.233 . . . . 0.0 111.144 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.401 HG22 ' O ' ' B' ' 66' ' ' GLN . 10.5 tp -74.01 -7.39 9.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.546 0.688 . . . . 0.0 110.9 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.594 ' HA ' HH21 ' A' ' 54' ' ' ARG . 27.8 t-20 -133.22 124.91 28.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.126 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.32 11.19 35.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.637 -176.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.91 102.64 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.449 . . . . 0.0 110.851 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -111.49 149.96 30.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 91.49 0.92 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -110.09 125.73 53.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 -175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.46 HD21 ' HE1' ' B' ' 81' ' ' HIS . 57.7 tp -80.79 95.31 6.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.911 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -88.39 -48.17 7.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -47.41 106.64 0.09 Allowed 'General case' 0 C--O 1.232 0.137 0 O-C-N 124.123 0.89 . . . . 0.0 111.635 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 10.7 p-80 -93.2 139.19 30.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.974 177.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 21.7 m170 74.39 86.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.112 0.882 . . . . 0.0 110.621 -173.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.46 ' HE1' HD21 ' B' ' 76' ' ' LEU . 72.6 m80 -71.02 102.58 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -143.15 133.71 24.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.945 177.302 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.0 tmm? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.6 Cg_endo -83.0 103.86 1.21 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.154 2.569 . . . . 0.0 112.43 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -82.29 147.14 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.522 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.6 pt -77.92 74.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.471 0.653 . . . . 0.0 111.146 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -160.63 106.78 1.48 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.681 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 99.2 mtt180 -74.4 -49.64 21.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 t80 50.28 74.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.156 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 m 56.88 61.39 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.354 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 6' ' ' ARG . 5.0 p-10 -54.06 -34.5 60.25 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.004 -176.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.22 -53.35 45.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -60.11 -44.24 95.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.754 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' B' ' 36' ' ' VAL . 95.7 t -58.39 -49.99 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.132 0.27 . . . . 0.0 110.992 -178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.59 -36.6 78.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 110.422 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.2 tp60 -60.1 -53.27 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.469 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.686 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.6 tp -59.18 -48.22 82.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.176 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.903 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.8 mm-40 -63.34 -50.19 70.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD21 HD21 ' B' ' 23' ' ' LEU . 97.8 mt -63.11 -50.53 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.224 -178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.12 -28.8 69.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.129 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.52 -41.67 75.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.389 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.61 -43.65 90.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.2 mm? -63.24 -48.73 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.94 -20.07 62.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.088 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -57.19 -35.25 69.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.124 0.488 . . . . 0.0 110.476 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -106.09 -27.02 11.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.128 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 60.64 82.57 0.16 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.378 0.609 . . . . 0.0 110.656 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.19 38.02 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.534 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 32' ' ' LEU . 36.7 Cg_endo -65.91 152.01 82.59 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.479 2.119 . . . . 0.0 111.795 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 39.3 m -55.56 -45.21 77.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.619 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.78 -43.22 98.36 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.749 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD11 HG22 ' B' ' 12' ' ' VAL . 56.6 tp -66.57 -42.07 87.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.566 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -59.26 -41.52 89.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 30' ' ' THR . 97.3 mt -62.0 -38.34 88.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.655 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.5 mtp -68.04 -47.37 68.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.985 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 12' ' ' VAL . 67.9 t -60.08 -50.65 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD13 HG22 ' B' ' 41' ' ' VAL . 97.0 mt -61.07 -40.57 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.52 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.55 66.62 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.045 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -36.9 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.648 0.261 . . . . 0.0 110.563 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.27 -54.47 46.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.817 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 45' ' ' ILE . 58.7 t -65.43 -44.47 94.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.3 m -57.44 -44.29 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -61.32 -45.59 93.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.34 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.59 -44.84 89.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.955 ' HA ' HD13 ' A' ' 49' ' ' ILE . 65.1 mt -64.56 -35.53 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -82.56 -21.4 35.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -97.05 -45.47 6.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -91.23 -47.37 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.67 0.271 . . . . 0.0 111.568 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.955 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.5 mp -72.41 137.33 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.42 130.59 94.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.714 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HA ' ' HB2' ' A' ' 54' ' ' ARG . 17.0 Cg_endo -57.17 -23.62 54.4 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.312 2.675 . . . . 0.0 112.609 -177.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' O ' HG12 ' A' ' 57' ' ' ILE . 11.0 pt20 -121.62 14.39 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.597 ' HB2' ' HA ' ' A' ' 51' ' ' PRO . 47.3 ttp180 -56.66 -48.22 78.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.082 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -69.11 -37.69 78.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.377 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.87 90.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.4 mm -69.73 -44.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.31 96.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.78 -43.69 97.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 109.817 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.579 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -62.41 -38.95 91.66 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' B' ' 62' ' ' ALA . . . -58.36 -46.5 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.755 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -74.1 -31.57 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.221 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.32 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.073 0.463 . . . . 0.0 110.306 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.75 -43.38 96.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.27 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 78.4 mm-40 -69.36 -15.38 63.3 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.088 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.27 -29.86 14.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -67.82 -42.02 82.16 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.069 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.5 HG12 HG23 ' B' ' 42' ' ' THR . 54.5 mt -75.66 141.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -73.32 82.03 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.239 0.542 . . . . 0.0 111.296 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 124.55 28.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.164 173.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 73' ' ' LYS . 9.4 t70 -131.09 -162.37 1.21 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.792 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' H ' ' CG ' ' A' ' 72' ' ' ASP . 53.8 mttp -66.44 -61.78 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.56 -173.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.75 10.22 5.86 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.208 0.603 . . . . 0.0 111.323 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -139.86 144.94 37.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.786 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 tp -157.58 145.06 18.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -92.94 -163.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.668 0.27 . . . . 0.0 111.068 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 68.71 80.14 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.14 -174.52 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.648 173.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.8 m170 69.53 171.95 0.3 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.212 0.32 . . . . 0.0 110.502 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 63.27 10.72 4.86 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.354 0.597 . . . . 0.0 110.683 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -143.87 -91.09 0.11 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.871 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.549 177.445 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.15 113.1 3.59 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.543 2.162 . . . . 0.0 113.15 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.42 92.7 8.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.54 103.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.406 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -169.86 152.35 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 6' ' ' ARG . 44.7 mtm180 -102.02 -61.46 1.38 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 111.349 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 t80 57.99 42.89 22.02 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m 62.32 68.25 0.68 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.842 -171.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -63.23 -25.35 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.385 -174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.164 0.507 . . . . 0.0 110.327 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -80.29 -40.1 27.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.898 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 36' ' ' VAL . 47.5 t -61.97 -49.25 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.7 -40.2 96.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.576 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.37 -49.08 78.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.54 -45.63 89.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.898 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 52.2 tp -61.06 -43.54 98.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.98 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -44.26 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.5 mt-10 -61.98 -44.4 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.715 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.2 -50.96 70.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.012 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 96.8 mt -58.34 -39.65 80.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.105 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -63.59 -38.52 91.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -64.16 -47.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.616 177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 28' ' ' ALA . 4.5 mm? -65.37 -29.11 69.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.55 -54.72 6.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.73 -34.56 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.375 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -89.3 -20.54 23.95 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.59 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 65.23 99.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 124.017 0.823 . . . . 0.0 112.356 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.516 ' HB3' HD12 ' B' ' 23' ' ' LEU . . . -131.0 111.68 15.8 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.895 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 28' ' ' ALA . 19.6 Cg_endo -60.85 169.33 5.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.831 2.354 . . . . 0.0 112.381 176.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 18.2 m -58.16 -51.54 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.13 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 35' ' ' MET . 28.3 t0 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 0.0 111.039 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.55 -46.8 78.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.392 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 10.9 p -66.05 -36.32 82.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.147 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 30' ' ' THR . 79.8 mt -63.92 -35.72 81.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.733 0.301 . . . . 0.0 110.827 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 31' ' ' ASP . 96.3 mmm -63.51 -46.8 84.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 12' ' ' VAL . 60.6 t -65.87 -54.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.812 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.72 -38.94 89.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.204 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.09 -50.48 65.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.165 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -68.14 -36.49 79.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.529 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.64 -58.22 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.922 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 37' ' ' LEU . 76.2 t -62.04 -42.44 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.879 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 69' ' ' ILE . 86.8 m -59.32 -48.45 81.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.81 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -62.35 -38.64 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.47 -48.1 81.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.717 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 71.7 mt -64.01 -40.14 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.653 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.668 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 88.8 m-20 -62.81 -33.27 74.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.782 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 15.3 p -94.63 -59.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.4 m -74.32 -41.34 61.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 46.2 mm -77.28 139.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.383 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.9 128.11 88.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.455 ' HA ' ' HG3' ' B' ' 54' ' ' ARG . 79.8 Cg_exo -48.39 -37.04 32.0 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.647 2.898 . . . . 0.0 113.514 -175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.96 67.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -124.62 6.1 8.21 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 53.2 mtm180 -53.34 -44.69 68.68 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.999 0.428 . . . . 0.0 110.713 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -61.02 -44.39 97.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.0 88.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.155 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.11 -42.58 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.539 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.68 93.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.941 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -63.32 -42.83 99.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.534 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.4 m -64.94 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.592 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -63.91 -43.98 94.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.149 0.5 . . . . 0.0 109.903 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.41 -47.54 85.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.23 -28.88 65.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.373 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.73 92.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.036 0.446 . . . . 0.0 109.86 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.72 -39.88 93.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.958 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 22.1 mm-40 -72.73 -15.95 61.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.8 m -92.09 -29.18 16.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.0 110.234 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.5 m -70.22 -30.08 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.166 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.474 HD13 ' HG2' ' A' ' 54' ' ' ARG . 55.4 mt -97.17 144.94 9.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.688 175.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -82.79 113.56 20.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.5 140.39 49.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.996 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.73 142.0 37.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -132.78 25.03 4.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.318 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.15 82.99 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -134.76 111.08 9.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.1 mt -124.26 178.76 5.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.272 0.558 . . . . 0.0 111.185 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 0.0 OUTLIER -116.64 8.19 13.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.591 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -69.49 144.91 53.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.159 -173.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 73.62 -7.0 1.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.395 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -76.72 3.28 12.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.851 -0.531 . . . . 0.0 111.957 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -139.24 27.06 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.523 0.678 . . . . 0.0 109.928 170.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -139.83 142.33 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.117 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--O 1.243 0.751 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.079 176.452 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 2.9 ppp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.268 0.556 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 37.0 Cg_endo -67.21 -51.3 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.391 2.061 . . . . 0.0 112.06 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.85 179.69 6.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.735 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 tt -120.09 123.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -73.09 128.91 36.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.649 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -84.29 -9.61 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.098 0.475 . . . . 0.0 111.122 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -83.67 116.62 22.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -51.26 138.86 20.01 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.808 0.692 . . . . 0.0 111.1 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -58.36 -23.93 58.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.74 -59.55 4.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.315 0.579 . . . . 0.0 109.973 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -57.76 -50.13 74.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.122 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.38 -48.29 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -64.88 -51.04 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -62.36 -38.01 87.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.253 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -66.81 -50.0 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.74 -46.76 80.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.35 85.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.3 tt0 -71.19 -35.19 71.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.673 0.273 . . . . 0.0 110.355 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 71.6 mt -65.3 -43.78 90.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.055 175.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.67 -39.25 90.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.29 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 33.9 t30 -54.99 -46.27 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' B' ' 22' ' ' VAL . 85.8 t -63.65 -49.39 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.157 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -65.04 -40.94 95.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.238 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.81 -28.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.45 . . . . 0.0 110.423 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -68.15 -36.01 78.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.009 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -94.57 -13.13 26.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.483 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 63.15 87.4 0.11 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.847 0.717 . . . . 0.0 110.776 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -103.51 126.54 31.79 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 16.9 Cg_exo -68.3 155.78 68.06 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.847 2.365 . . . . 0.0 111.636 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -58.56 -43.68 89.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 111.339 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.32 -48.91 75.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.653 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.68 -39.53 76.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.832 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -56.96 -52.52 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.647 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.44 -30.86 71.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.932 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ttt -67.87 -50.74 54.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG22 HG13 ' B' ' 12' ' ' VAL . 96.2 t -63.31 -50.34 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.9 mt -60.73 -39.28 88.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.973 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.35 46.79 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.425 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.88 -34.46 78.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -62.26 -57.49 11.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.434 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 HD13 ' B' ' 37' ' ' LEU . 95.0 t -59.62 -37.67 71.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.437 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.529 HG21 ' HB2' ' B' ' 68' ' ' SER . 41.5 m -54.12 -60.33 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.571 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ASN . 57.6 t30 -74.21 -24.98 59.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.668 -174.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.14 -55.27 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 54' ' ' ARG . 63.5 mt -67.1 -31.82 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 109.952 177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 43' ' ' ASN . 64.5 t30 -60.38 -40.82 92.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.872 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.7 p -108.88 -37.48 5.85 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -80.46 -26.2 38.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 57' ' ' ILE . 50.5 mm -98.35 152.89 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 54' ' ' ARG . . . -52.28 137.03 39.93 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.545 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 75.3 Cg_exo -52.0 -38.51 69.66 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.898 3.066 . . . . 0.0 114.811 -171.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.47 -56.63 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.613 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -77.73 4.92 10.44 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.0 ptt-85 -67.11 -25.24 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.549 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -76.54 -31.43 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.535 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.4 96.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.99 0.424 . . . . 0.0 110.182 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 49' ' ' ILE . 50.5 mt -68.03 -34.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 176.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.271 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -42.11 95.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.838 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.6 m -62.7 -38.52 90.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.63 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -62.58 -43.97 97.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.12 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.7 -50.24 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.477 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -54.8 -41.94 71.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.95 75.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.42 -35.72 78.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.437 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -77.07 -11.11 59.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.7 m -96.47 -35.02 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.355 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.473 ' HB2' HG21 ' B' ' 42' ' ' THR . 14.8 p -77.15 -47.06 21.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -83.81 98.4 5.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -64.07 138.5 58.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.79 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.89 -23.53 61.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.3 153.65 31.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 23.7 pttm -71.08 -13.13 61.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.187 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 73.63 155.28 0.16 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.683 0.793 . . . . 0.0 112.036 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 3.3 m80 -149.13 -38.69 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.171 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 8.0 mp 69.18 157.2 0.15 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.656 -177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.71 148.73 21.98 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -78.02 107.98 10.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -68.84 -27.25 65.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.186 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -154.26 -111.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.427 171.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.4 t60 61.21 -68.2 0.05 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.604 0.762 . . . . 0.0 111.087 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.29 86.31 2.38 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 . . . . . 0 C--O 1.243 0.718 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.963 -175.536 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptm . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 121.03 0.443 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.73 172.42 7.83 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.759 2.306 . . . . 0.0 111.994 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -81.02 95.8 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 tt -84.73 -25.01 7.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.965 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p 52.88 -166.25 0.07 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.438 0.695 . . . . 0.0 111.332 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -112.88 26.61 10.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.445 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -91.02 146.47 23.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -85.84 124.93 32.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.945 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -67.75 -24.2 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.84 -42.95 99.67 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.85 -43.26 75.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.29 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.41 HG13 HG22 ' A' ' 36' ' ' VAL . 57.7 t -59.37 -45.72 93.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.97 -40.38 93.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.62 -50.87 71.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.88 -48.23 74.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.62 -49.0 77.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.079 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.27 99.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.227 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 22' ' ' VAL . 28.1 tt0 -71.14 -40.41 71.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.636 -0.257 . . . . 0.0 110.626 -178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.7 -48.74 79.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.519 HD13 HD12 ' B' ' 23' ' ' LEU . 4.2 mm? -63.97 -34.4 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.6 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 8.2 t30 -61.47 -47.84 83.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.38 175.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 22' ' ' VAL . 74.9 t -56.29 -43.96 78.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 110.605 177.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.519 HD12 HD13 ' B' ' 20' ' ' LEU . 98.4 mt -60.49 -39.48 87.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.825 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 37.3 mt-10 -76.75 -23.32 52.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 30.5 mmmt -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.301 0.572 . . . . 0.0 110.26 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LYS . 27.4 m-70 -95.8 -41.19 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.521 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB2' ' B' ' 27' ' ' LYS . 7.9 mtmp? 68.64 84.04 0.15 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.617 -175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.51 151.81 46.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.005 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.7 153.64 70.85 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 122.712 2.275 . . . . 0.0 112.426 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -63.58 -32.31 73.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.856 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.16 -49.07 72.78 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.684 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' B' ' 28' ' ' ALA . 69.1 tp -67.03 -46.26 74.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -56.11 -48.36 76.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.45 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.35 -39.98 96.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.303 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.3 ttp -64.93 -44.92 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.571 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 32' ' ' LEU . 73.2 t -59.57 -44.33 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.631 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 41' ' ' VAL . 96.2 mt -63.31 -43.19 98.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.801 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.97 99.09 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.199 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -66.84 -40.28 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.244 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.8 ttm -59.98 -54.96 39.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.165 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.8 t -57.6 -44.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.063 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 68' ' ' SER . 97.4 m -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 111.219 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -71.54 -44.54 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.49 -50.53 71.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.55 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.442 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 74.3 mt -64.23 -43.27 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.39 -30.05 69.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -92.18 -48.27 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.9 p -83.41 -37.59 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.759 0.314 . . . . 0.0 111.533 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.536 HG21 HG13 ' B' ' 57' ' ' ILE . 46.8 mm -92.43 150.72 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.18 123.72 42.85 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.039 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 23.9 Cg_exo -64.86 -2.66 5.73 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.434 2.756 . . . . 0.0 113.39 -175.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.38 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.914 0.388 . . . . 0.0 111.037 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -124.85 13.6 8.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.013 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -55.32 -39.09 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.435 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -70.66 -40.91 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.534 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.28 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.536 HG13 HG21 ' B' ' 49' ' ' ILE . 50.2 mm -64.84 -46.62 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.48 90.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.702 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.597 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 20.9 t-20 -64.84 -41.78 95.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.06 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 44.1 m -63.7 -41.93 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.533 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.14 -44.15 92.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.959 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.93 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.332 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 88.4 mtt180 -61.76 -47.06 86.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.07 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.186 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.45 -41.84 81.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.04 0.447 . . . . 0.0 111.288 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -77.94 -8.27 57.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.319 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.7 m -98.72 -35.12 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.529 ' HB2' HG21 ' A' ' 42' ' ' THR . 11.5 p -73.61 -40.48 63.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 110.957 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 89.87 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 121.399 0.619 . . . . 0.0 109.422 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -73.14 164.16 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.392 -173.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.16 19.61 11.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.762 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -72.32 132.49 44.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.929 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -111.65 26.39 10.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.349 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -1.18 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 m170 72.27 169.0 0.32 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.013 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.792 HD23 ' H ' ' B' ' 76' ' ' LEU . 1.8 pt? -74.58 104.59 5.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 170.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.14 127.28 31.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.08 -172.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -97.74 103.83 15.8 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 167.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -52.67 -48.87 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.866 -165.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.447 ' HA ' ' OXT' ' B' ' 83' ' ' HIS . 55.9 t-80 -104.95 123.98 48.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.34 0.59 . . . . 0.0 111.849 -172.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -130.47 -67.68 0.72 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -111.43 -46.27 3.3 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 167.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.447 ' OXT' ' HA ' ' B' ' 80' ' ' HIS . 9.0 t-80 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.363 -1.289 . . . . 0.0 108.864 170.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.62 106.12 1.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.626 2.217 . . . . 0.0 111.573 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -73.26 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.934 0.397 . . . . 0.0 110.543 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.4 pt -111.19 0.1 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.589 . . . . 0.0 110.209 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -81.18 93.43 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -105.04 21.81 16.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.738 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -80.46 164.02 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 p -89.52 139.7 30.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.58 -48.28 63.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.761 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 37.7 mt-10 -52.37 -58.03 7.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.786 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.04 -39.68 82.72 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.085 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.3 -47.34 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.708 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.11 -39.69 86.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.601 0.238 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.5 mt-30 -62.33 -47.49 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.42 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG11 ' B' ' 36' ' ' VAL . 2.5 tt -70.75 -33.15 70.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.252 0.549 . . . . 0.0 109.669 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' SD ' ' B' ' 40' ' ' MET . 4.9 tt -60.88 -39.54 89.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.142 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.03 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.207 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 6.2 mm-40 -57.23 -49.37 76.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.787 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' B' ' 40' ' ' MET . 75.2 mt -67.81 -35.59 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.775 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.88 -34.97 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.962 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.13 -42.55 90.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.038 0.447 . . . . 0.0 109.927 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.14 -49.96 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.542 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.76 -57.18 13.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.137 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -65.41 -32.95 74.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 25' ' ' LYS . 7.5 ttpm? -67.2 -28.74 68.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.784 0.326 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -104.12 -20.19 13.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 0.0 110.487 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 57.24 80.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.884 -176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 15' ' ' LEU . . . -93.87 122.54 61.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 173.69 8.67 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.709 2.273 . . . . 0.0 111.466 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -56.59 -42.81 79.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.91 -45.99 91.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 110.84 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.92 -40.86 62.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.911 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.92 -34.77 75.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.09 -53.59 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.021 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 HG13 ' B' ' 12' ' ' VAL . 65.7 t -65.03 -46.55 91.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 90.2 mt -64.03 -42.58 97.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.66 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.8 -44.75 95.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.229 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -61.41 -43.93 98.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.9 mmm -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 46.2 t -64.74 -44.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.575 0.226 . . . . 0.0 110.632 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -59.37 -44.92 92.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.727 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.02 -47.84 84.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.716 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.34 -46.44 79.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.163 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.592 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 65.4 mt -70.05 -25.64 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.899 -176.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.822 HD21 HG12 ' B' ' 69' ' ' ILE . 32.7 m-80 -92.93 -31.39 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.8 p -106.33 -38.94 6.07 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 m -90.68 -35.82 14.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 46.1 mm -78.54 142.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.789 176.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.03 115.52 7.6 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.045 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.53 -25.9 69.19 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.261 2.64 . . . . 0.0 112.872 -174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.02 -18.51 64.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.843 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -145.82 30.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.933 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 mm-40 -73.14 -29.11 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.345 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.74 96.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 110.15 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.0 -42.35 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.428 177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.93 90.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.41 -44.77 95.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.85 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.3 m -62.72 -40.41 97.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -64.4 -49.88 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.474 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.29 89.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 110.837 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -57.4 -46.55 83.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.914 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.08 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.73 -51.83 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.12 -15.19 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.867 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.4 p -98.54 -5.28 32.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.984 0.421 . . . . 0.0 110.695 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 t -97.77 -36.01 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.179 0.514 . . . . 0.0 109.728 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.96 72.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.828 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -133.07 -175.41 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.54 101.48 13.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.615 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.29 110.96 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.988 -177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -100.24 -11.48 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.154 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.91 -58.01 5.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.53 69.95 0.6 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.395 171.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.8 tp -91.06 75.32 6.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.82 134.27 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.496 -175.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -76.8 94.55 3.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.567 0.698 . . . . 0.0 109.98 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -126.06 114.05 17.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.379 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 69.42 -66.74 0.25 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.891 0.744 . . . . 0.0 111.492 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 4.2 t60 -140.28 -96.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 53.5 t-80 164.8 -43.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.505 0.503 . . . . 0.0 109.681 -175.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.694 -166.678 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -76.45 85.28 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.441 2.094 . . . . 0.0 112.295 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -91.81 -76.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.645 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.2 pt -125.72 18.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -69.89 105.18 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.323 -174.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -110.17 -1.17 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.224 0.535 . . . . 0.0 110.162 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -87.7 121.31 29.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 171.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 31.5 m -58.79 134.29 56.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.633 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.73 -37.59 73.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.259 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' B' ' 14' ' ' GLN . 64.3 mm-40 -58.13 -46.48 85.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.41 -47.58 84.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.49 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 36' ' ' VAL . 47.1 t -58.46 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.67 -34.68 78.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' B' ' 10' ' ' GLU . 97.8 mt-30 -64.77 -44.9 88.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.122 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 8.7 mp -64.36 -45.58 87.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.937 0.399 . . . . 0.0 110.367 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.56 -43.51 93.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.702 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.56 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 22' ' ' VAL . 66.8 mt-10 -65.54 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.159 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 94.3 mt -64.88 -45.9 84.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.05 -34.21 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.415 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.34 -38.01 79.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.237 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 18' ' ' GLU . 92.9 t -60.76 -48.32 89.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.462 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 23' ' ' LEU . 4.2 mm? -62.32 -40.22 95.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.349 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.481 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 9.0 mm-40 -73.69 -44.65 56.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.96 -44.14 93.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.12 0.486 . . . . 0.0 111.096 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -87.42 -24.2 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 6.6 mmpt? 53.74 70.55 0.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.584 0.552 . . . . 0.0 109.945 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.65 132.23 27.82 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.147 -175.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.12 159.89 51.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.579 2.186 . . . . 0.0 111.594 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -56.94 -35.88 69.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.705 0.288 . . . . 0.0 110.92 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.19 -62.04 1.89 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.788 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.9 -30.96 67.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.764 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -59.73 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.348 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.88 -35.29 79.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.762 0.315 . . . . 0.0 110.564 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 tpt -58.64 -55.27 37.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.884 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 15' ' ' LEU . 95.3 t -68.35 -42.27 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.054 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 41' ' ' VAL . 82.2 mt -59.49 -47.76 84.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.57 0.224 . . . . 0.0 110.718 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.18 97.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.193 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -66.08 -39.16 89.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.423 0.154 . . . . 0.0 110.871 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.722 ' HG3' HD12 ' A' ' 19' ' ' LEU . 41.8 mmm -61.84 -48.47 80.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.41 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.4 t -63.3 -43.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 110.24 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 75.6 m -60.04 -44.65 94.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -64.78 -41.25 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.716 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.0 -50.09 75.41 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' B' ' 49' ' ' ILE . 60.3 mt -67.03 -30.55 49.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -72.34 -36.41 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.706 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -101.06 -64.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p -73.16 -28.46 62.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -171.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' B' ' 45' ' ' ILE . 59.8 mt -92.44 146.77 5.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.58 0.229 . . . . 0.0 110.563 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -53.1 136.61 48.36 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 14.2 Cg_exo -69.49 -3.16 11.27 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.482 2.788 . . . . 0.0 114.066 -173.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.78 -64.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.234 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.495 ' O ' HG12 ' B' ' 57' ' ' ILE . 28.2 pt20 -76.58 10.18 2.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.506 ' HB2' HG22 ' B' ' 45' ' ' ILE . 15.3 ptt180 -57.16 -35.23 69.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.46 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -75.2 -35.96 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 0.0 110.425 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.57 87.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.254 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.495 HG12 ' O ' ' B' ' 53' ' ' GLN . 48.2 mm -61.57 -46.69 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.254 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.21 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.017 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.22 -48.68 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.334 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.1 p -68.94 -33.74 74.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.076 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.57 -45.56 92.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.837 0.351 . . . . 0.0 110.123 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.24 96.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.637 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -66.47 -32.68 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.19 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 0.0 110.301 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.32 -35.12 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.484 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -77.73 -7.9 57.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 38.8 t -95.6 -35.3 11.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.361 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.0 p -79.21 -41.93 27.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.26 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.822 HG12 HD21 ' A' ' 46' ' ' ASN . 52.6 mt -80.73 92.26 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.493 . . . . 0.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -137.59 -81.18 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.388 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -178.89 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.044 0.215 . . . . 0.0 110.787 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.49 97.31 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.077 0.861 . . . . 0.0 110.164 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -73.66 157.23 36.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.838 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.6 170.4 0.21 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.89 0.744 . . . . 0.0 109.706 -171.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -138.8 121.46 16.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.64 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.73 80.96 8.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 168.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' B' ' 79' ' ' HIS . 9.9 pt-20 -118.97 161.9 19.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.011 -171.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -78.16 82.87 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.52 ' HB2' ' HG3' ' B' ' 77' ' ' GLU . 24.2 t60 -93.88 -61.27 1.57 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.646 -170.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -167.5 89.41 0.31 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.551 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 38.3 t60 70.83 154.25 0.13 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.055 0.847 . . . . 0.0 110.648 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -55.95 -45.51 78.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.309 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.3 mmt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 16.4 Cg_exo -68.82 -26.47 32.21 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.394 2.062 . . . . 0.0 110.632 173.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -93.35 108.34 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.597 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt -93.55 123.18 45.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.2 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -76.52 75.81 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.302 0.573 . . . . 0.0 110.819 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -139.86 -49.87 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.665 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 62.73 -161.39 0.3 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.636 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 10.0 m -89.65 108.66 19.8 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -50.31 -46.36 55.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.072 0.463 . . . . 0.0 111.52 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.52 -43.92 93.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.43 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 1.9 mp0 -65.01 -42.72 94.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.62 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 HD11 ' B' ' 32' ' ' LEU . 65.3 t -63.42 -47.08 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.875 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.74 -38.72 89.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.72 -40.5 95.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 110.896 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 HG21 ' B' ' 36' ' ' VAL . 38.4 tp -68.07 -38.95 82.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.015 0.436 . . . . 0.0 110.032 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 58.1 tp -64.32 -46.67 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.297 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.88 -33.88 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.894 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.678 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 5.9 tp10 -62.9 -53.0 60.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.088 176.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.62 -40.88 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.108 0.48 . . . . 0.0 110.471 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 85.7 mt -67.95 -46.36 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.593 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.678 ' ND2' ' HA ' ' A' ' 18' ' ' GLU . 3.3 p30 -68.69 -36.43 78.49 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.714 -175.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.8 t -60.29 -44.32 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 110.172 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.5 -52.02 30.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.19 -37.84 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.075 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -74.87 -30.85 61.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.755 0.312 . . . . 0.0 111.239 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -82.95 -19.39 37.26 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.181 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.37 95.54 0.06 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.893 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.72 134.69 20.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.815 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.52 156.2 62.07 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.367 2.045 . . . . 0.0 111.71 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.2 m -56.02 -38.67 70.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.82 -52.06 58.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.21 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.2 tp -71.72 -36.16 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.529 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -59.28 -48.35 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.647 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 30' ' ' THR . 95.4 mt -62.8 -37.14 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.475 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -62.1 -47.18 85.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.752 178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG21 HD23 ' B' ' 15' ' ' LEU . 99.9 t -68.09 -49.72 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.58 -41.86 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.927 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.89 -48.3 86.23 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.926 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.5 -37.03 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.311 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.0 ttt -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.976 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.81 -43.85 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.63 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -59.53 -51.07 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -63.99 -36.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.715 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.5 -46.56 83.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' A' ' 49' ' ' ILE . 71.7 mt -69.59 -34.37 61.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.032 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.16 -24.08 59.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -114.5 -42.08 3.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 m -95.04 -7.21 40.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 111.743 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 45' ' ' ILE . 67.1 mt -114.86 136.98 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.72 140.38 97.8 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.482 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 57.9 Cg_endo -71.3 51.44 1.38 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.413 2.742 . . . . 0.0 112.922 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.05 -58.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.093 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.16 19.0 20.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HD2' ' HA ' ' A' ' 51' ' ' PRO . 15.3 ptm180 -56.12 -41.65 75.62 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 6.3 tp60 -76.84 -22.26 53.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.114 0.483 . . . . 0.0 110.427 -176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.61 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.145 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.472 HD12 HD13 ' A' ' 49' ' ' ILE . 44.8 mt -66.79 -39.86 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.04 73.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.099 0.476 . . . . 0.0 110.675 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 18.6 m-80 -63.96 -44.87 91.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.758 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -57.78 -38.06 74.8 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.244 0.34 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.83 -49.24 78.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.411 . . . . 0.0 110.254 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.3 80.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.094 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 14.7 mmt180 -69.18 -26.93 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.73 22.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.507 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.6 -61.41 2.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 2.1 mp0 -63.86 -19.26 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.946 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 t -86.54 -17.33 34.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.69 0.281 . . . . 0.0 110.933 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.3 m -104.78 -26.14 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.142 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.533 HG13 ' HB2' ' B' ' 46' ' ' ASN . 14.0 tt -86.95 -1.9 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.638 0.733 . . . . 0.0 110.662 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -113.74 108.02 16.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.828 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.9 -53.99 2.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.147 0.499 . . . . 0.0 110.152 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -97.15 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HB2' ' H ' ' A' ' 74' ' ' ALA . 88.6 mttt -90.32 -87.08 0.19 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.866 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' H ' ' HB2' ' A' ' 73' ' ' LYS . . . 61.02 179.54 0.11 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.539 176.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.561 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 10.0 p-80 179.48 -17.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.92 177.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.561 ' HG ' ' HD2' ' A' ' 75' ' ' HIS . 93.5 mt -118.26 122.29 42.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.91 170.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -73.42 -41.33 63.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -176.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -88.48 74.75 8.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.243 0.544 . . . . 0.0 111.518 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -81.83 -29.23 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.568 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -86.47 133.61 33.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -112.84 139.02 48.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.544 . . . . 0.0 111.516 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -91.69 145.9 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.472 -174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.297 176.231 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.8 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 4.6 Cg_exo -77.32 33.67 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.282 2.655 . . . . 0.0 112.087 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -169.52 125.19 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.0 pt -115.16 134.59 57.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -74.68 73.89 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.348 0.594 . . . . 0.0 111.025 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -115.12 -33.05 5.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.88 -164.91 0.25 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.789 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.86 103.21 5.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.31 -52.48 44.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.654 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.59 -37.65 76.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.193 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -70.44 -47.15 62.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.64 -44.12 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -60.41 -44.61 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.827 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.93 -50.52 73.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 36' ' ' VAL . 47.7 tp -62.56 -44.81 95.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.71 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.61 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.38 87.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 22' ' ' VAL . 8.6 tp10 -60.2 -45.21 93.96 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.475 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 91.4 mt -62.13 -43.8 98.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.381 . . . . 0.0 111.051 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.24 -37.68 83.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.248 0.546 . . . . 0.0 109.85 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 20.8 t-20 -65.6 -32.02 73.38 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.086 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 18' ' ' GLU . 25.5 t -60.69 -42.2 91.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.849 175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.74 -46.38 84.54 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 27' ' ' LYS . 16.6 mm-40 -77.21 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.32 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' ASN . 34.7 ttmt -82.7 -39.34 22.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 -176.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -99.04 -25.53 14.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' B' ' 24' ' ' GLU . 28.3 mmtp 60.85 92.67 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.751 0.786 . . . . 0.0 112.071 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.72 150.78 76.75 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.742 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.9 138.89 85.26 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.44 2.093 . . . . 0.0 111.74 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 m -57.25 -32.91 67.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.252 -177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.53 -46.03 80.82 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.245 0.545 . . . . 0.0 110.22 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 12' ' ' VAL . 60.6 tp -71.63 -41.27 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.6 m -56.0 -45.79 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.031 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.84 -41.65 99.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.704 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt -64.73 -42.58 95.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.7 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.522 HG21 HD23 ' A' ' 15' ' ' LEU . 96.8 t -64.94 -48.12 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.715 178.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.7 mt -59.82 -39.2 84.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.638 0.256 . . . . 0.0 110.908 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.84 -56.41 25.46 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.098 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.12 -32.49 74.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -60.29 -58.16 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.363 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.68 -39.45 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.43 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -54.75 -56.91 14.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.933 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.49 -40.1 96.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.862 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.69 -54.49 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.67 HG23 HG13 ' B' ' 49' ' ' ILE . 63.2 mt -69.58 -34.74 62.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.408 . . . . 0.0 110.705 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.533 ' HB2' HG13 ' A' ' 69' ' ' ILE . 64.5 t30 -71.68 -15.57 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.73 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 22.5 p -108.44 -53.87 2.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -79.37 -30.95 42.77 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.143 0.424 . . . . 0.0 112.143 -172.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.67 HG13 HG23 ' B' ' 45' ' ' ILE . 44.4 mm -81.87 141.9 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -54.59 133.24 64.07 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.542 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 86.8 Cg_exo -47.73 -35.96 24.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.755 2.97 . . . . 0.0 113.938 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -35.41 79.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.0 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -118.3 19.37 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -171.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 86.0 mtm180 -57.06 -61.08 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.021 0.438 . . . . 0.0 110.975 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.123 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.88 -48.71 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.696 175.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' B' ' 49' ' ' ILE . 50.7 mt -71.14 -29.66 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.456 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.87 75.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.11 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -68.35 -41.81 80.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.762 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.4 p -69.58 -26.36 64.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.623 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -67.54 -41.61 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 66' ' ' GLN . . . -63.05 -40.53 97.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.396 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -59.38 -45.3 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.67 78.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.723 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.4 tp -65.48 -52.82 50.15 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.438 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' B' ' 62' ' ' ALA . 95.6 mt-30 -60.05 -30.73 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.24 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 -3.2 58.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 35.3 m -110.87 -20.1 12.58 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.6 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 13.6 tt -98.43 131.45 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.84 115.95 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.141 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -58.27 3.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.308 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -121.7 162.75 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 109.43 20.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.95 102.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.914 0.388 . . . . 0.0 110.063 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.412 ' CD2' ' HG ' ' B' ' 76' ' ' LEU . 55.8 p-80 -136.69 -6.47 1.94 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.873 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' B' ' 75' ' ' HIS . 91.3 mt -122.45 112.78 18.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -81.92 -48.6 11.31 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 173.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -89.73 72.94 7.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.486 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -72.52 -41.81 65.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.366 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -112.07 136.77 51.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -77.66 130.38 36.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -73.9 130.94 40.9 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.349 -0.834 . . . . 0.0 109.913 178.223 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 13.3 tpt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 29.0 Cg_exo -64.08 -15.32 48.65 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.198 2.599 . . . . 0.0 113.434 -177.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 83.33 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.031 0.443 . . . . 0.0 110.616 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 mt -108.13 9.0 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.831 0.825 . . . . 0.0 108.878 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -54.07 134.23 43.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.012 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -84.78 24.21 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.096 -175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -118.89 122.77 43.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.092 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.8 m -73.96 136.93 43.28 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.471 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.89 -35.24 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.338 0.399 . . . . 0.0 110.07 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.53 -55.81 14.43 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.96 174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.5 -55.62 29.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.773 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 8' ' ' SER . 59.6 t -54.83 -57.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.271 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.67 -33.14 68.61 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -172.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 6.1 tp60 -77.73 -38.4 47.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.886 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD23 HG21 ' B' ' 36' ' ' VAL . 43.4 tp -70.08 -42.52 72.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.142 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.87 -39.27 91.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.49 86.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp10 -66.7 -48.0 70.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.358 177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.2 mm? -58.63 -43.36 89.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -36.96 83.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.81 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 6.5 t30 -60.64 -39.45 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 61.9 t -69.74 -36.08 68.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 0.0 110.03 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.53 -52.09 59.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 13.8 pt-20 -72.62 -15.21 61.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.751 0.31 . . . . 0.0 111.062 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' VAL . 53.1 tttp -59.78 -35.89 75.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.409 0.623 . . . . 0.0 110.033 172.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -105.03 -29.97 10.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.58 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 59.2 88.11 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.741 0.781 . . . . 0.0 110.957 -174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -104.79 140.86 21.5 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.35 162.11 28.35 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.755 2.304 . . . . 0.0 111.947 177.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 m -59.28 -29.59 67.69 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.304 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.95 -50.38 73.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.238 0.542 . . . . 0.0 110.29 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' A' ' 28' ' ' ALA . 58.7 tp -74.84 -38.76 61.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.279 -173.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.8 p -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.695 0.284 . . . . 0.0 110.637 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.52 -33.37 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.57 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 ttt -64.72 -49.42 70.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.522 HG22 HG13 ' B' ' 12' ' ' VAL . 95.1 t -64.11 -47.71 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.9 mt -62.21 -38.25 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.194 -178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.35 -49.93 68.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.301 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.8 -42.27 86.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.082 0.467 . . . . 0.0 110.131 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.8 ttt -58.62 -51.73 68.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.559 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.1 t -63.47 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.4 m -56.42 -51.53 68.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.703 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -59.37 -48.66 80.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.39 -52.64 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.907 HG23 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -60.78 -47.08 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.701 0.286 . . . . 0.0 111.258 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -64.35 -36.88 85.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.934 -174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 p -94.28 -29.76 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.6 t -89.92 -34.95 15.86 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.282 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.907 HD12 HG23 ' A' ' 45' ' ' ILE . 74.3 mt -90.42 140.18 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -55.86 143.4 61.07 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . 48.0 Cg_exo -56.82 -20.93 37.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.368 2.712 . . . . 0.0 113.952 -173.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.2 -66.84 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.968 0.413 . . . . 0.0 111.932 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' OE1' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -94.61 21.5 7.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 85.8 mtm180 -51.85 -48.14 64.12 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.091 0.472 . . . . 0.0 110.783 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -72.24 -39.03 68.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.956 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.36 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 111.326 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.471 HD12 HG21 ' A' ' 49' ' ' ILE . 60.9 mt -72.3 -33.42 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.639 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.75 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -71.31 -44.97 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.347 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 p -65.22 -42.12 93.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -61.36 -38.97 88.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.281 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.49 82.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.156 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -32.36 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.89 97.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.93 -47.92 82.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.353 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.57 -24.15 64.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.233 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.3 m -77.05 -22.25 53.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.508 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 m -84.04 -27.22 28.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' B' ' 58' ' ' ALA . 64.6 mt -87.86 100.66 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.096 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -65.62 140.92 58.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.804 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.38 -16.61 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.436 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 1.2 t70 69.32 -164.17 0.18 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.224 -177.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -134.76 119.9 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.14 -0.35 . . . . 0.0 110.712 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.49 -4.87 42.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -123.72 120.27 32.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.951 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tt -79.07 87.74 4.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.933 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.48 88.25 7.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.454 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -83.26 -37.08 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.855 -172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -122.11 106.22 10.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.015 0.436 . . . . 0.0 111.039 -178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -69.42 131.71 45.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.736 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -65.41 115.6 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 0.0 110.77 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -85.62 105.4 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.778 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.248 0.978 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.103 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.638 0.256 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.34 120.99 8.3 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.67 2.247 . . . . 0.0 111.186 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -127.38 2.7 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.53 -174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 tt -59.77 110.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.607 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -162.78 108.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.272 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -75.97 -24.23 55.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.468 . . . . 0.0 110.509 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -95.43 117.57 30.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.47 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -68.99 153.75 43.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.566 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -56.92 -41.22 77.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.192 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.31 -41.5 76.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.033 0.444 . . . . 0.0 111.123 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.27 -46.38 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.718 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 36' ' ' VAL . 54.5 t -64.62 -48.44 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.629 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -61.21 -43.46 98.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.478 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.06 -51.82 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.6 OUTLIER -63.46 -47.62 81.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.098 -178.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.42 -42.74 96.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.19 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.28 90.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.205 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.497 ' O ' HG23 ' B' ' 22' ' ' VAL . 39.1 mt-10 -70.25 -36.81 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.92 -49.89 74.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.477 . . . . 0.0 110.553 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.53 -38.31 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.339 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.46 -42.75 83.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.044 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 18' ' ' GLU . 85.7 t -61.71 -47.39 93.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -41.4 92.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.59 -44.09 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -60.69 -38.68 85.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.966 0.412 . . . . 0.0 110.751 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -77.42 -22.17 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? 54.95 58.5 4.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.815 0.817 . . . . 0.0 109.928 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.71 26.8 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.492 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.11 153.82 76.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.509 2.14 . . . . 0.0 112.224 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -55.41 -37.23 67.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.21 -56.02 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.12 -40.46 82.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.537 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -56.95 -54.47 46.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.51 -39.15 92.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 111.288 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -66.7 -46.51 75.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 15' ' ' LEU . 66.7 t -61.27 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.676 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.9 mt -60.15 -44.09 95.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.682 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.2 -44.86 96.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.549 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.47 -35.69 77.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 0.0 110.095 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.41 -45.48 92.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.1 t -61.05 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.267 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.3 m -58.87 -41.62 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -64.2 -46.28 84.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.324 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.19 -47.94 83.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.755 HG12 HD12 ' B' ' 49' ' ' ILE . 71.1 mt -60.72 -38.41 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.639 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -64.24 -41.56 96.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.935 -177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -106.82 8.7 30.91 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.8 m -136.0 -50.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.901 -0.499 . . . . 0.0 111.595 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.755 HD12 HG12 ' B' ' 45' ' ' ILE . 62.5 mt -81.04 128.9 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.794 0.33 . . . . 0.0 110.44 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -56.56 140.03 74.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.465 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 48.5 Cg_exo -56.55 -23.02 46.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.364 2.71 . . . . 0.0 112.734 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.14 -48.96 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.196 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.54 ' O ' HG12 ' B' ' 57' ' ' ILE . 12.4 pt20 -125.69 18.37 8.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.971 -169.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.488 ' NH2' ' HB2' ' A' ' 72' ' ' ASP . 21.4 ptt180 -68.81 -24.97 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.563 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.94 -39.14 30.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.52 91.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.532 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 53' ' ' GLN . 43.9 mm -61.02 -46.5 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.441 ' HB2' HD12 ' A' ' 69' ' ' ILE . . . -60.94 -41.56 96.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.36 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -70.45 -44.76 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.3 p -67.18 -37.93 84.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.967 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.32 -46.8 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.053 0.454 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.62 98.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.077 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 11.4 tpt180 -61.7 -41.9 98.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.95 177.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.96 98.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -48.62 80.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.0 -24.12 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.744 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -96.32 -8.02 33.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.908 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -92.17 -28.27 17.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.58 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.8 115.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.945 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -79.65 138.55 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.151 0.501 . . . . 0.0 110.863 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.26 154.24 24.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.018 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.76 149.39 24.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.8 mmtp -113.42 -108.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.709 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.65 -50.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -84.93 111.6 19.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.068 0.461 . . . . 0.0 112.062 -176.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 105.5 17.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 169.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.25 -38.09 70.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.436 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 62.66 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.911 0.757 . . . . 0.0 110.835 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.71 101.73 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 170.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -75.54 32.3 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -164.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.8 m170 63.73 175.66 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.132 0.491 . . . . 0.0 111.416 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -106.76 -17.09 14.32 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.37 176.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.95 90.67 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.352 2.035 . . . . 0.0 112.418 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 16.3 mm-40 -84.16 123.38 30.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 175.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.8 mt -69.08 -71.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.277 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' TYR . 45.7 m 57.34 95.94 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.784 0.677 . . . . 0.0 109.985 -172.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 22.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -172.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 5' ' ' SER . 75.2 m-85 -132.49 86.72 2.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 t -68.93 159.23 33.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.279 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.64 -43.08 57.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.315 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.47 -49.66 76.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.17 -40.45 96.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 -177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG13 HG22 ' B' ' 36' ' ' VAL . 65.6 t -66.43 -48.56 80.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.535 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.3 -46.71 89.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.256 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.89 -45.53 94.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.481 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' B' ' 36' ' ' VAL . 51.5 tp -65.82 -43.3 89.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.767 0.318 . . . . 0.0 110.514 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.54 -43.65 98.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.13 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.77 -51.02 71.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.687 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.93 -47.11 87.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.014 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.71 -42.67 95.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.72 -49.21 78.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' B' ' 22' ' ' VAL . 87.1 t -63.75 -37.62 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.688 0.28 . . . . 0.0 111.104 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.84 -51.31 69.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.046 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.0 -26.8 65.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -66.99 -36.78 82.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.173 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -96.65 -9.8 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.79 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 68.73 92.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.872 0.733 . . . . 0.0 111.359 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.95 119.49 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.877 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.06 157.8 55.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.795 2.33 . . . . 0.0 111.585 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -60.34 -33.86 73.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.467 -174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.36 -45.75 87.61 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.212 0.53 . . . . 0.0 110.445 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HD12 ' B' ' 15' ' ' LEU . 36.3 tp -78.29 -37.57 44.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.927 -174.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 43.9 p -63.97 -43.19 96.52 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.553 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.78 -37.79 88.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.6 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.41 -48.79 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' B' ' 15' ' ' LEU . 63.7 t -67.85 -47.03 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.041 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.0 mt -59.44 -43.97 93.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.895 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.26 98.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.874 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -62.01 -44.92 95.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.083 0.468 . . . . 0.0 110.253 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.0 mtp -58.51 -52.07 67.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.074 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 37' ' ' LEU . 64.6 t -60.8 -43.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.9 m -56.47 -55.62 31.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -67.62 -33.24 74.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.377 -176.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.33 -54.28 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.668 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.036 ' HA ' HD13 ' A' ' 49' ' ' ILE . 67.5 mt -66.1 -33.89 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.087 0.47 . . . . 0.0 110.833 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.85 -26.62 64.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.863 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.8 p -112.47 -42.27 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -174.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -90.86 -12.41 36.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -170.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.036 HD13 ' HA ' ' A' ' 45' ' ' ILE . 2.7 mp -107.38 139.23 29.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -45.58 140.5 4.3 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 123.436 0.695 . . . . 0.0 112.582 -178.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 11.4 Cg_exo -72.14 48.69 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 124.103 3.202 . . . . 0.0 113.583 -176.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.28 -62.41 0.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.126 0.489 . . . . 0.0 110.236 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -0.07 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.536 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' HA ' HG21 ' A' ' 49' ' ' ILE . 5.8 ptp180 -59.17 -37.12 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.628 0.251 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -73.29 -37.47 66.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 110.186 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.86 88.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.17 -41.82 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.95 99.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.534 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 83.1 m-20 -64.07 -51.52 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.239 178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 p -63.79 -39.68 94.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.377 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.08 -42.65 98.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.219 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.31 99.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 68.6 mtp180 -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.63 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.34 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.099 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.56 -47.59 85.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.119 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.01 -38.79 80.06 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.029 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -75.58 -21.76 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.393 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -79.0 -25.82 43.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -73.75 109.55 6.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.046 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -133.74 118.49 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.033 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HA ' HH21 ' B' ' 54' ' ' ARG . 1.6 mp0 -78.59 -77.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 20.89 9.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 111.122 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -67.97 -50.87 53.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.13 139.32 38.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -111.57 103.26 11.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.866 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.82 104.53 14.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.112 -176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -175.96 106.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -134.57 24.05 3.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -103.84 -7.89 20.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.44 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -89.54 122.91 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.077 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -108.27 162.51 14.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.843 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.88 -51.11 6.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--O 1.242 0.675 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.688 171.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.46 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 26.0 ttt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.573 0.225 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 5.5 Cg_exo -77.46 115.87 3.99 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.632 2.221 . . . . 0.0 111.178 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' B' ' 3' ' ' GLN . 6.0 tp60 -77.21 98.14 5.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.34 0.59 . . . . 0.0 110.325 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.7 mt -85.94 96.25 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.9 p -153.92 151.98 30.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.623 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -58.09 -27.17 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.591 ' HA ' ' OE1' ' B' ' 11' ' ' GLN . 20.2 m-85 -103.59 147.47 27.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.988 -169.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.33 164.75 27.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.781 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -50.64 -46.61 58.42 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.964 0.506 . . . . 0.0 112.004 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.09 -32.58 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' B' ' 7' ' ' TYR . 95.5 mt-30 -75.05 -31.34 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.975 0.417 . . . . 0.0 110.176 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.8 -43.5 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.83 -45.34 90.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.36 176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -53.25 -49.52 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.369 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.487 ' HB2' HG21 ' A' ' 36' ' ' VAL . 76.9 mt -73.18 -40.24 64.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.973 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 59.9 tp -57.53 -47.24 82.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.234 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.74 -52.68 64.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.6 mm-40 -61.39 -55.55 30.23 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.6 -43.16 97.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.735 0.302 . . . . 0.0 111.343 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -69.72 -42.32 74.14 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -62.52 -44.62 95.9 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.242 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.772 HG21 HG21 ' A' ' 22' ' ' VAL . 94.1 t -59.29 -46.06 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.836 178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.81 -46.02 80.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -71.28 -34.06 70.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -68.41 -46.28 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.176 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -76.14 -17.59 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.147 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.2 mttt 63.89 88.22 0.1 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.929 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.502 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -115.03 132.6 22.93 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.202 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 51.6 Cg_exo -57.44 158.88 17.7 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 123.024 2.483 . . . . 0.0 112.636 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m -58.73 -36.12 73.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.149 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.79 -47.14 76.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.169 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.502 HD23 ' HB1' ' B' ' 28' ' ' ALA . 61.3 tp -62.85 -45.84 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.065 -176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -60.8 -42.88 98.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.875 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.28 -41.52 99.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.691 0.281 . . . . 0.0 111.1 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.83 -45.96 90.15 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.793 0.33 . . . . 0.0 111.01 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 15' ' ' LEU . 88.8 t -65.65 -50.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.82 -39.51 89.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.638 0.256 . . . . 0.0 110.838 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.32 52.57 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.161 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -67.04 -36.17 81.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.779 0.323 . . . . 0.0 110.7 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.15 -52.19 66.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.83 -45.11 99.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -57.24 -41.83 80.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.26 -42.76 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.922 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -57.12 -46.16 82.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 52.4 mt -66.36 -25.54 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -96.59 -2.07 45.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -114.97 -64.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -84.67 -36.08 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 0.0 110.936 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 49.6 mm -76.6 143.9 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -62.45 121.12 64.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.809 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 50' ' ' ALA . 31.4 Cg_exo -59.71 -19.83 55.42 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.317 2.678 . . . . 0.0 112.905 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.36 -31.1 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 110.997 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.47 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.6 pt20 -112.44 12.05 19.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.243 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.675 HH21 ' HA ' ' A' ' 71' ' ' GLU . 29.4 ptt180 -59.68 -32.22 70.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.87 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -68.15 -48.93 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.098 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.63 97.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.126 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 53' ' ' GLN . 40.6 mm -63.08 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.96 94.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.412 . . . . 0.0 110.843 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.458 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 57.2 t30 -68.25 -39.34 82.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.47 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.4 ' HA ' ' NE ' ' B' ' 63' ' ' ARG . 37.2 t -62.79 -41.37 99.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.374 176.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -61.1 -35.08 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.305 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.41 -45.32 94.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 0.1 OUTLIER -62.97 -45.07 94.16 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.555 176.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.88 86.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 69' ' ' ILE . 59.3 tp -61.79 -49.09 77.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -66.86 -28.81 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.638 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -78.85 -21.4 47.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.0 110.329 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.4 t -79.95 -33.68 39.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 65' ' ' LEU . 45.2 mt -79.48 78.9 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.698 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -100.87 112.59 25.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 0.0 109.48 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.07 -14.35 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.675 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -128.38 -163.37 1.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 72.24 0.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.699 0.762 . . . . 0.0 110.18 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.12 94.92 2.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.838 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -96.37 131.34 43.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.604 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.1 tp -93.44 -1.14 56.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.919 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.29 65.74 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.51 0.672 . . . . 0.0 110.549 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -98.29 -1.94 40.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.443 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' B' ' 80' ' ' HIS . 39.1 t-80 -67.34 149.47 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.048 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' B' ' 79' ' ' HIS . 70.4 t60 72.85 102.42 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.867 0.73 . . . . 0.0 110.269 -174.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -171.55 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -64.78 -24.17 67.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.507 170.638 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.09 -30.47 82.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.681 2.254 . . . . 0.0 111.882 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -100.78 99.18 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.092 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.0 mt -85.88 129.05 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.003 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -105.11 97.42 7.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -79.52 -20.81 46.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.319 0.58 . . . . 0.0 109.624 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -69.04 138.73 54.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.007 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.9 m -64.5 112.46 3.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.8 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.73 -42.1 64.6 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.87 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.17 -47.24 81.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.75 -38.63 80.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG13 HG22 ' B' ' 36' ' ' VAL . 76.7 t -61.57 -42.03 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.51 -45.61 91.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.384 175.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.94 -52.33 65.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.676 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt -60.58 -47.23 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.42 -50.21 74.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.862 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.2 tp10 -61.61 -48.57 80.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.972 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 94.6 mt -61.36 -41.53 97.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.741 0.305 . . . . 0.0 111.256 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.35 -36.84 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -71.16 -32.26 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.132 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' GLU . 41.7 t -57.82 -44.28 85.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.482 173.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.17 -44.5 83.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.715 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 36.3 tt0 -69.18 -45.56 69.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 52.5 mtmt -59.19 -36.89 76.16 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -96.71 -8.35 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.215 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 12.0 mtmt 43.77 73.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.323 0.649 . . . . 0.0 112.176 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.43 135.23 21.85 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.131 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' HD2' HD23 ' A' ' 32' ' ' LEU . 54.1 Cg_exo -52.68 146.41 34.97 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.805 2.337 . . . . 0.0 112.179 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -56.55 -42.14 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 111.359 -176.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -70.02 -38.77 76.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.717 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' B' ' 7' ' ' TYR . 56.5 tp -66.79 -37.04 83.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 m -57.76 -47.33 82.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.06 -40.79 97.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.745 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.6 -46.48 89.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.742 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG21 HD23 ' B' ' 15' ' ' LEU . 55.6 t -66.54 -46.92 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.34 -48.77 79.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.609 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.02 88.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -59.18 -46.09 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.341 . . . . 0.0 111.044 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -64.25 -51.43 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.339 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG22 HD13 ' B' ' 37' ' ' LEU . 86.5 t -60.0 -41.16 85.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.904 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.408 HG23 ' HA ' ' B' ' 69' ' ' ILE . 97.4 m -58.28 -51.73 68.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.056 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -64.89 -35.2 80.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.78 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.15 -55.02 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.59 -41.35 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.34 -33.58 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.198 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.7 p -101.06 -26.16 13.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -92.1 -47.18 7.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.526 HG21 HG13 ' A' ' 57' ' ' ILE . 44.3 mm -82.98 146.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -51.14 122.83 18.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.558 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 32.6 Cg_exo -59.2 -16.94 36.45 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.463 2.776 . . . . 0.0 113.383 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.7 -23.33 61.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 110.939 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -131.11 15.44 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.525 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 23.9 ptt85 -57.98 -39.39 78.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 111.227 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -75.15 -28.92 60.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.351 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.82 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.972 0.415 . . . . 0.0 110.257 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG13 HG21 ' A' ' 49' ' ' ILE . 49.6 mm -69.96 -39.82 77.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.032 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.11 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.481 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.2 -45.91 86.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -71.01 -26.31 63.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.234 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -66.22 -45.95 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.23 99.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.006 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.18 -49.99 62.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.946 174.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.45 89.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.75 -53.12 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.07 -8.95 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 m -98.31 -9.94 24.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 0.0 110.367 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -100.57 -21.56 15.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.891 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.3 mm -75.12 112.03 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.365 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 61.72 99.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.915 0.76 . . . . 0.0 112.328 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -105.02 177.76 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -142.1 91.83 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 73' ' ' LYS . 4.6 ttmp? -86.03 -57.85 2.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.825 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.45 113.07 21.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.171 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -82.28 120.39 25.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.196 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 tt 63.92 81.71 0.2 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.718 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' CB ' ' HD2' ' A' ' 79' ' ' HIS . 28.9 mt-10 -84.88 -17.27 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.174 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 68.14 28.68 6.49 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.404 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 77' ' ' GLU . 23.6 m-70 -70.73 123.44 21.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.044 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -159.89 150.83 19.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.84 103.75 13.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.7 m80 61.88 -92.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.391 0.676 . . . . 0.0 112.234 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.3 m80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.496 -175.273 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.531 0.205 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.16 -33.09 97.1 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.933 2.422 . . . . 0.0 112.252 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.91 88.9 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.043 0.449 . . . . 0.0 109.926 176.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 tp -89.21 110.44 21.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.571 0.7 . . . . 0.0 110.602 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 86.43 6.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -101.76 -3.57 27.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.555 0.693 . . . . 0.0 109.827 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' LEU . 79.3 m-85 -74.18 127.85 34.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.874 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 12.7 m -59.36 114.87 2.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -51.63 -46.28 63.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.098 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -56.44 -48.06 77.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -63.61 -47.86 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.103 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 32' ' ' LEU . 58.3 t -61.42 -47.85 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.127 -178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.74 -43.04 99.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.0 -36.81 84.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.219 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.556 HD23 HG21 ' A' ' 36' ' ' VAL . 29.1 tp -69.77 -42.29 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.102 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 36' ' ' VAL . 75.5 mt -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.27 93.28 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.431 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' ' 22' ' ' VAL . 6.5 tp10 -63.71 -46.08 87.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.899 0.38 . . . . 0.0 111.254 -177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.0 mt -60.26 -47.11 87.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.109 0.48 . . . . 0.0 110.449 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 36.8 tp -69.28 -31.7 70.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.555 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' B' ' 18' ' ' GLU . 33.5 t30 -55.49 -57.16 13.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.1 -45.43 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.99 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.09 -46.03 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.191 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 42.6 tt0 -66.06 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.462 -177.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.47 -15.06 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -114.82 -32.83 5.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.953 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 24' ' ' GLU . 85.3 mttt 51.92 72.29 0.4 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.209 0.603 . . . . 0.0 111.538 -176.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.488 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -85.31 150.92 55.66 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.983 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.29 148.23 14.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.048 2.498 . . . . 0.0 112.144 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.19 -38.06 73.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.502 -175.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.87 -33.76 75.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.488 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.8 tp -78.43 -41.88 31.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 4.7 p -63.79 -43.3 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.705 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.26 -33.01 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 176.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.25 -46.6 86.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 12' ' ' VAL . 99.7 t -64.54 -49.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.525 HD13 HG22 ' A' ' 41' ' ' VAL . 96.6 mt -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.148 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.87 -45.18 96.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.852 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttt -60.12 -54.24 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.182 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 37' ' ' LEU . 96.6 t -60.53 -44.94 97.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -60.06 -47.69 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -63.99 -43.48 95.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.69 -51.64 68.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.801 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.822 HG23 HD12 ' B' ' 49' ' ' ILE . 70.5 mt -67.39 -35.65 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 110.632 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 60.2 t30 -61.74 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.717 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 34.2 p -94.89 -41.63 9.1 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -173.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -77.06 -25.48 52.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.823 -174.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.822 HD12 HG23 ' B' ' 45' ' ' ILE . 63.3 mt -111.03 137.27 44.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.221 -177.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.43 ' HB3' ' OE1' ' B' ' 53' ' ' GLN . . . -64.09 142.11 98.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.636 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -49.98 -35.8 42.2 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.796 2.997 . . . . 0.0 114.258 -174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.618 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HB3' ' B' ' 50' ' ' ALA . 1.1 pm0 -94.44 7.09 46.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 38.9 ttm180 -58.01 -49.42 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.65 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -72.66 -24.32 61.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.32 66.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.329 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 53' ' ' GLN . 45.1 mm -66.79 -37.19 78.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.03 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.5 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 13.4 m-80 -69.78 -40.71 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.563 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.04 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.023 0.439 . . . . 0.0 110.477 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -72.61 -42.57 64.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.857 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.09 89.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.251 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 44.9 mtt180 -62.48 -40.34 96.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.851 0.358 . . . . 0.0 110.678 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.85 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.09 -48.76 77.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.707 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.46 -14.68 63.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.274 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.7 t -96.17 -54.44 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.508 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 15.9 t -67.31 -14.66 63.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.317 -175.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 42' ' ' THR . 11.2 tp -64.3 -20.36 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.15 0.5 . . . . 0.0 109.92 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -137.96 92.12 2.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.146 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' B' ' 68' ' ' SER . 52.6 mm-40 -116.38 80.08 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.333 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -103.18 125.68 49.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.19 0.519 . . . . 0.0 109.744 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -113.87 -25.77 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.839 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.08 158.63 29.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -124.92 -52.45 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.298 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 tt -155.7 115.36 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -145.54 166.77 24.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.845 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -95.63 80.65 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.266 0.555 . . . . 0.0 109.56 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -88.41 -16.15 33.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.752 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -66.98 106.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.11 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.65 -67.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.491 -171.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -94.05 128.79 40.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.814 -175.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 90.23 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.283 1.989 . . . . 0.0 111.252 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.56 -1.29 14.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.183 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.6 tt -165.94 102.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.485 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -120.04 175.16 6.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.791 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -86.55 11.48 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.419 0.628 . . . . 0.0 110.162 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -120.7 -178.16 3.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -75.68 106.69 7.37 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.88 -30.7 67.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.129 0.49 . . . . 0.0 110.124 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.2 mp0 -58.49 -41.97 86.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.207 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 8.5 tt0 -65.77 -40.99 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.085 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.39 -47.0 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.373 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.18 -43.04 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.64 -49.19 78.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 11' ' ' GLN . 95.2 mt -60.83 -41.89 96.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.64 -51.3 69.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . . . -64.94 -26.43 68.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.394 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -79.65 -40.61 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.96 -42.59 89.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 174.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.29 -26.75 64.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.365 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 3.2 t-20 -62.96 -47.4 83.34 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.82 -42.57 82.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.586 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.56 -51.18 69.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.259 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 39.8 mt-10 -72.05 -28.93 63.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.632 0.253 . . . . 0.0 111.43 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -54.41 -45.66 73.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.273 0.559 . . . . 0.0 110.529 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.14 -26.73 14.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.092 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 37.4 mmtm 67.46 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.365 0.666 . . . . 0.0 111.161 -177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.97 144.29 52.93 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.652 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.97 151.8 82.69 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.788 2.325 . . . . 0.0 111.703 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -60.26 -37.15 79.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 111.058 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.63 -44.33 93.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.428 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -71.79 -42.22 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.327 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 28.0 p -63.68 -41.3 98.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.644 0.259 . . . . 0.0 110.587 -178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.34 -31.48 72.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.739 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.57 -46.69 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.339 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG22 HG13 ' B' ' 12' ' ' VAL . 58.1 t -63.77 -46.77 93.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 178.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -35.89 78.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.38 52.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.24 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.77 -41.26 98.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.087 0.47 . . . . 0.0 110.169 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.64 -51.93 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.384 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.68 -43.68 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.927 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.3 m -58.89 -47.59 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.92 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.7 -41.24 97.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.461 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.18 -57.1 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 49' ' ' ILE . 65.5 mt -59.9 -33.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 110.826 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -66.73 -52.88 39.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.0 p -102.48 8.47 40.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -168.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 t -111.28 0.42 16.71 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.524 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' N ' ' A' ' 50' ' ' ALA . 7.9 tp -146.78 160.24 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' N ' HG13 ' A' ' 49' ' ' ILE . . . -52.34 150.26 8.94 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 122.89 0.476 . . . . 0.0 112.178 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -50.7 -37.12 53.2 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.088 3.192 . . . . 0.0 114.66 -173.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.37 -38.91 18.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.328 0.585 . . . . 0.0 110.842 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.7 mp0 -69.94 -20.31 63.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.156 -174.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 51' ' ' PRO . 5.9 ptp180 -62.56 -29.59 70.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.823 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -77.39 -31.16 54.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.255 178.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -43.19 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.936 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 53' ' ' GLN . 47.6 mm -61.86 -43.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 177.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.92 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 111.223 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.495 ' HB3' HH12 ' A' ' 63' ' ' ARG . 21.4 m-80 -73.86 -29.39 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.5 m -72.62 -36.02 67.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.032 0.444 . . . . 0.0 110.077 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -64.53 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.91 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.75 95.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' A' ' 59' ' ' ASN . 74.7 mtt85 -58.41 -41.02 84.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.4 66.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.081 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -61.73 -40.21 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -72.86 -13.7 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.649 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -98.19 -23.32 15.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 0.0 111.373 178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 p -89.74 -16.56 30.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.717 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.46 HG12 HD21 ' B' ' 46' ' ' ASN . 66.2 mt -118.04 127.79 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.635 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -138.52 168.1 20.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.775 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HG3' ' HE1' ' A' ' 75' ' ' HIS . 1.2 pm0 -79.31 155.32 28.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' B' ' 51' ' ' PRO . 34.5 t70 -111.59 84.47 1.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -174.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.8 tptt 64.17 -76.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.61 110.39 0.5 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -165.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.567 ' HE1' ' HG3' ' A' ' 71' ' ' GLU . 22.3 m80 -153.43 -166.26 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 108.554 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.8 mt 64.81 79.74 0.25 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.26 0.552 . . . . 0.0 111.174 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 1.2 pm0 -79.12 130.66 35.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.543 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.1 t60 64.54 76.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -87.07 115.06 24.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.351 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -51.62 -49.42 62.26 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.506 0.504 . . . . 0.0 111.66 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.28 97.32 11.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -82.51 164.36 20.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.717 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.532 175.509 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 17.4 Cg_exo -66.85 122.37 9.72 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.91 2.407 . . . . 0.0 112.47 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -70.47 -34.21 72.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 67.9 mt -104.82 121.11 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -109.83 140.01 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.177 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -101.68 20.72 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 0.0 111.332 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -127.15 174.41 8.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.599 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -65.96 98.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.131 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 7.9 p-10 -59.18 -36.36 75.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.043 -175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.12 -40.02 73.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 111.109 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -74.05 -37.73 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.003 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 36' ' ' VAL . 64.1 t -64.26 -48.24 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.428 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' B' ' 9' ' ' ASP . 25.8 mm-40 -57.1 -46.29 82.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.537 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . 6.4 tp60 -59.69 -51.09 71.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.6 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.9 mp -57.8 -45.81 85.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.155 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 tp -60.55 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.11 93.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.7 mm-40 -63.27 -50.27 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.763 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 97.8 mt -61.81 -44.94 95.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.525 -177.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.54 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.889 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.33 -40.94 98.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.6 t -57.39 -53.91 37.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.932 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.48 -43.58 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.38 -35.0 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.363 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -70.26 -22.1 62.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.591 -175.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.12 -32.14 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.003 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 44.4 mtmt 66.1 83.78 0.16 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.764 0.665 . . . . 0.0 110.91 -176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.06 137.23 19.66 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.551 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.39 165.32 22.81 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.476 2.117 . . . . 0.0 111.632 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -54.97 -40.54 70.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.835 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -56.47 -55.26 35.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.792 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -36.66 81.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.997 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -59.28 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.88 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.96 -36.73 82.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.893 0.378 . . . . 0.0 110.581 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -61.23 -51.27 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.015 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.01 -53.15 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.291 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.76 -38.2 89.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.48 0.181 . . . . 0.0 111.303 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.75 -47.6 90.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.25 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -74.36 -25.55 59.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.714 0.292 . . . . 0.0 110.625 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.97 -54.02 40.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.532 HG22 HD13 ' A' ' 37' ' ' LEU . 57.7 t -59.79 -45.25 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.117 176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.8 m -56.75 -41.76 78.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.059 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.44 -56.64 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.775 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.4 mm? -58.57 -38.68 78.4 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.656 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.548 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 66.1 mt -67.18 -30.21 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.896 0.379 . . . . 0.0 111.254 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.46 HD21 HG12 ' A' ' 69' ' ' ILE . 37.0 m-80 -90.62 -31.24 16.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.739 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 41.1 p -88.68 -37.09 15.83 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.7 m -103.17 -36.67 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 63.5 mt -86.29 147.26 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 110.943 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.67 139.21 50.85 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.505 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 10.7 Cg_endo -53.46 -39.43 82.11 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 124.012 3.141 . . . . 0.0 114.48 -173.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.28 28.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.078 0.466 . . . . 0.0 111.198 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -91.04 2.11 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.339 -175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 51' ' ' PRO . 99.3 mtt180 -55.39 -56.05 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -62.27 -36.87 83.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.66 64.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.045 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.459 HD12 HD13 ' B' ' 49' ' ' ILE . 60.0 mt -73.29 -39.43 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.325 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 0.9 OUTLIER -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.548 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 61.0 m -66.32 -37.2 84.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.163 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.91 -43.44 94.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.47 84.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.099 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 65.5 mtt-85 -64.59 -47.57 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.136 178.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.31 90.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.979 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 45.7 tp -56.52 -52.17 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -76.33 -7.97 56.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.332 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 35.0 t -93.39 -23.07 18.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.331 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 22.3 t -94.59 -29.66 14.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.329 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 70.3 mt -80.83 111.26 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.358 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -109.16 136.19 49.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.83 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.16 135.22 36.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.98 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 51' ' ' PRO . 2.6 m-20 -61.94 132.08 51.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.159 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' B' ' 73' ' ' LYS . 0.4 OUTLIER -79.68 14.43 1.69 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.415 -176.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.06 53.79 2.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.423 0.63 . . . . 0.0 109.87 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.13 14.01 21.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 98.5 mt -78.07 75.51 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 0.0 110.971 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.98 -58.37 6.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -132.35 -58.67 0.94 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.555 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 79.1 t60 67.49 -71.6 0.1 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.006 0.816 . . . . 0.0 110.708 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 4.3 t60 168.26 -38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -140.45 128.0 21.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.682 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -87.33 -67.42 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.107 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--O 1.245 0.835 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.183 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.701 0.286 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.05 120.04 7.1 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 110.957 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.83 -4.47 11.13 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.751 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -81.13 86.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.626 0.726 . . . . 0.0 110.149 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.17 95.74 4.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.667 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 71.1 ttt180 -90.87 17.96 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.496 0.665 . . . . 0.0 109.962 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.21 124.98 49.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.139 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -58.97 126.67 28.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.43 0.456 . . . . 0.0 110.397 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -63.9 -33.07 74.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.198 -174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.75 -36.93 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.68 -40.66 88.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.25 -48.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.31 -47.65 78.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.011 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.14 -46.17 91.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.0 tp -65.38 -46.55 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.49 -41.44 89.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.481 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.69 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.065 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.7 mt-10 -65.23 -41.51 94.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.433 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.55 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.775 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD23 HD12 ' A' ' 23' ' ' LEU . 77.7 mt -67.79 -29.6 68.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.7 t30 -64.44 -42.33 96.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.9 t -64.34 -39.71 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.164 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD12 HD23 ' A' ' 20' ' ' LEU . 96.4 mt -66.87 -25.6 66.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.823 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -78.07 -51.82 9.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.3 mtpt -61.01 -39.76 90.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.25 -26.37 25.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 110.151 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 18.8 ttmm 58.58 84.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.674 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -113.08 134.25 21.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.305 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 21.0 Cg_exo -65.85 161.39 39.51 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.929 2.419 . . . . 0.0 112.302 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.1 m -53.78 -49.25 68.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.026 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' MET . 10.2 t70 -61.32 -46.81 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 111.073 -178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.62 -39.21 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.72 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -62.48 -37.08 84.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.018 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' THR . 93.5 mt -69.35 -35.34 75.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 88.1 mtp -59.52 -49.42 77.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.538 . . . . 0.0 110.124 175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.26 -56.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.162 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.6 mt -63.97 -38.24 90.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.49 -47.47 90.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.912 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -68.17 -34.98 77.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.014 0.435 . . . . 0.0 109.997 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 ttt -59.64 -51.12 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.567 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -64.33 -44.23 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.564 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.4 m -57.18 -51.04 70.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.933 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -66.04 -35.11 79.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.81 -52.53 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.232 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.718 HG22 ' HG3' ' A' ' 54' ' ' ARG . 63.4 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.255 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.9 ' HA ' ' HD2' ' A' ' 54' ' ' ARG . 31.8 t30 -52.4 -47.8 66.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.738 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.6 p -85.97 -37.87 18.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.4 m -67.64 -62.14 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 57' ' ' ILE . 8.2 tp -92.72 150.94 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -173.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.04 87.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.674 0.273 . . . . 0.0 111.302 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.44 102.53 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.006 2.47 . . . . 0.0 112.27 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 177.26 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.242 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.483 HE21 HG13 ' A' ' 49' ' ' ILE . 5.2 pm0 -99.67 10.05 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.607 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.9 ' HD2' ' HA ' ' A' ' 46' ' ' ASN . 53.9 ttp180 -62.42 -48.08 81.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.74 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HA ' HG21 ' B' ' 69' ' ' ILE . 1.0 OUTLIER -63.3 -35.34 80.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.997 177.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 HG21 ' A' ' 49' ' ' ILE . 69.2 mt -63.77 -44.38 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.896 0.379 . . . . 0.0 110.35 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.19 98.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.758 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.1 m -60.81 -42.91 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.001 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.59 -40.34 96.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.7 43.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 63' ' ' ARG . 46.0 mtm180 -61.12 -37.83 84.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.403 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.15 91.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.609 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' O ' HG12 ' A' ' 69' ' ' ILE . 62.3 tp -56.93 -49.39 75.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.68 -31.91 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -76.23 -29.58 57.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.99 0.424 . . . . 0.0 110.443 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -79.25 -17.44 54.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 65' ' ' LEU . 49.0 mm -78.91 106.17 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.37 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.15 -1.13 27.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.391 0.615 . . . . 0.0 110.647 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' ' 69' ' ' ILE . 14.3 tt0 63.66 -94.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.425 -177.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -176.26 -60.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.48 32.51 6.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.294 -175.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -15.8 63.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.511 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -117.79 90.28 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.888 ' HG ' ' H ' ' A' ' 77' ' ' GLU . 17.5 tp -117.39 -163.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.888 ' H ' ' HG ' ' A' ' 76' ' ' LEU . 44.9 mt-10 -61.06 140.71 57.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.961 0.41 . . . . 0.0 111.384 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -111.69 26.02 11.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.685 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 53.47 -177.52 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.404 1.082 . . . . 0.0 112.488 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.23 166.14 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -77.2 116.53 17.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.702 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -169.43 159.52 8.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.904 -1.046 . . . . 0.0 108.746 173.719 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 16.6 tpt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 32.2 Cg_exo -61.65 104.61 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.826 2.35 . . . . 0.0 112.023 178.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -124.58 -23.68 4.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.459 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.6 103.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -151.4 127.71 10.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.099 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -93.02 -16.47 25.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -82.56 108.44 15.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -65.59 152.62 43.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.896 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.58 -45.08 73.5 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.675 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.4 -37.46 78.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.153 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.36 -46.34 86.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.009 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.12 -41.25 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.599 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.53 -51.63 62.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.225 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -58.16 -49.11 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.188 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.88 -48.45 80.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.6 -46.4 90.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.07 98.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.8 mm-40 -71.89 -36.44 70.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.08 -42.54 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -65.07 -35.17 80.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.128 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -60.15 -42.98 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.728 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.2 t -65.25 -37.31 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.08 -50.75 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.57 -21.44 66.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.786 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.76 -36.47 74.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.426 . . . . 0.0 110.346 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -102.54 -29.02 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 62.29 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.499 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -104.32 145.07 29.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 -175.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 38.9 Cg_exo -61.97 159.01 35.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.636 2.224 . . . . 0.0 111.553 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m -55.63 -44.68 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.217 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.35 -51.66 68.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.176 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.87 -38.29 90.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.036 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -59.32 -45.99 89.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.665 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.45 -39.63 94.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.555 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.19 -51.79 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.175 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.2 t -69.05 -48.48 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.522 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.6 mt -61.94 -48.35 80.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.007 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.42 -39.34 97.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.897 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -62.07 -49.43 75.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.3 ttp -65.99 -41.26 91.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 37' ' ' LEU . 72.9 t -60.87 -47.95 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.708 0.289 . . . . 0.0 110.852 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -59.45 -49.28 78.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.46 -40.62 97.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.71 -56.94 14.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.848 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.95 -38.99 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.745 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 65.8 t30 -59.03 -42.14 89.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.297 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -104.71 15.68 27.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.1 p -119.85 -44.9 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.119 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.602 HG21 HD12 ' B' ' 57' ' ' ILE . 9.9 tp -103.08 169.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.577 0.227 . . . . 0.0 110.52 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.532 ' H ' HG13 ' B' ' 49' ' ' ILE . . . -69.27 153.68 95.68 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.9 Cg_endo -48.25 -57.56 2.27 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.009 3.139 . . . . 0.0 113.728 -176.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.29 87.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.068 0.461 . . . . 0.0 111.163 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.374 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' B' ' 46' ' ' ASN . 41.0 mtm105 -60.46 -37.55 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 110.548 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -68.93 -44.26 73.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.303 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.96 87.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.225 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.602 HD12 HG21 ' B' ' 49' ' ' ILE . 64.7 mt -65.88 -41.15 89.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -47.37 85.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.71 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.91 -42.09 97.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.719 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -62.03 -45.68 92.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.398 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.29 -45.5 91.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.527 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.45 -45.55 91.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -63.78 -46.73 83.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.826 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.1 85.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.26 -54.99 40.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.99 -33.16 72.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.052 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -83.39 -10.14 58.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 62.3 m -94.61 -20.26 19.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.5 HG21 ' HA ' ' A' ' 55' ' ' GLN . 50.1 mm -74.31 101.69 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.053 175.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -105.72 107.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.594 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.91 145.94 30.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.977 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.04 -20.7 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 111.462 -174.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.86 29.88 1.28 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.262 -170.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.48 -25.78 50.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.975 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -116.49 107.93 15.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.95 -83.09 0.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.808 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -174.68 153.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.425 ' CG ' ' H ' ' B' ' 79' ' ' HIS . 1.8 p80 -137.85 -66.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.676 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' B' ' 78' ' ' HIS . 6.1 p80 177.9 154.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -116.2 170.47 8.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.028 0.205 . . . . 0.0 110.583 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' B' ' 82' ' ' HIS . 30.2 m170 -68.08 121.26 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.291 0.567 . . . . 0.0 112.038 -172.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' B' ' 81' ' ' HIS . 18.5 p-80 172.51 -27.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.373 176.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.663 177.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.614 ' HB2' ' HA ' ' A' ' 6' ' ' ARG . 13.9 Cg_endo -91.75 109.83 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.456 2.771 . . . . 0.0 112.248 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.706 ' HG3' ' H ' ' A' ' 4' ' ' ILE . 8.5 pt20 -81.25 -79.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.02 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.706 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 63.5 mt -90.9 -56.97 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -73.91 104.64 4.85 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.419 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 51.8 ttp85 -79.64 -16.78 55.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.219 0.533 . . . . 0.0 110.255 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -98.89 154.86 17.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 39.7 m -66.42 146.1 54.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.772 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.05 -40.22 66.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.184 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.21 -49.26 67.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.393 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 8' ' ' SER . 2.5 mp0 -61.51 -50.4 72.86 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 110.692 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.58 -51.16 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.027 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.95 -59.4 5.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.492 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.75 -47.58 82.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.755 -173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 36' ' ' VAL . 33.2 tp -64.33 -45.55 87.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.601 0.239 . . . . 0.0 110.67 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.54 -43.25 94.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.23 91.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.51 -49.16 76.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.565 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 HG11 ' B' ' 22' ' ' VAL . 8.4 mp -55.95 -49.05 74.6 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.447 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.53 -33.89 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.468 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 61.0 t30 -75.26 -47.05 29.86 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.225 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 70.6 t -58.81 -40.66 80.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.547 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -41.56 99.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.148 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -73.45 -24.18 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.135 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 26.1 mtpp -62.61 -26.41 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.97 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -107.8 -11.18 15.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.099 175.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 51.97 71.89 0.43 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.482 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 126.28 81.69 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.046 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.37 158.16 28.04 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.836 2.358 . . . . 0.0 111.692 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 6.6 m -55.47 -44.28 76.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.429 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -58.49 -46.84 85.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 110.963 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.27 -40.38 86.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.456 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 t -61.28 -40.55 94.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.624 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 30' ' ' THR . 90.6 mt -63.75 -35.18 79.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.908 0.385 . . . . 0.0 110.652 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 80.4 mtp -70.13 -47.88 59.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.429 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.714 HG13 HD12 ' B' ' 16' ' ' LEU . 79.5 t -59.69 -58.5 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HG22 ' B' ' 41' ' ' VAL . 97.8 mt -63.34 -37.65 88.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.825 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.69 -53.86 41.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.392 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -67.52 -34.43 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.778 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.9 ttt -62.43 -53.86 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.977 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.15 -42.91 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -56.94 -47.95 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.76 -49.34 76.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.676 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 tp -56.34 -51.28 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.339 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.528 HG22 ' HB2' ' A' ' 54' ' ' ARG . 64.9 mt -65.64 -32.59 58.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.871 -176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.721 HD21 HG12 ' B' ' 69' ' ' ILE . 24.9 m-80 -81.98 -23.26 36.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -109.9 -43.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.8 m -91.4 -3.74 56.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 45' ' ' ILE . 65.5 mt -121.21 146.6 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 123.37 27.12 Favored Pre-proline 0 C--O 1.232 0.155 0 O-C-N 123.409 0.443 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 79.5 Cg_exo -49.72 -39.38 47.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.317 2.678 . . . . 0.0 113.806 -176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.81 -21.89 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -103.88 -10.64 18.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 27.5 ptt-85 -63.63 -30.54 71.64 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.48 -171.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -74.15 -36.56 64.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.063 0.458 . . . . 0.0 110.123 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.74 -43.24 76.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.427 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 49' ' ' ILE . 48.5 mm -62.35 -38.19 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.327 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.42 79.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.512 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.4 m-20 -61.39 -43.0 99.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.527 177.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t -62.44 -44.9 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.696 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.17 -40.48 97.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.45 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 53.4 mtt180 -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.651 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.04 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.307 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.84 -55.65 21.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.946 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.584 HE21 ' HB1' ' B' ' 58' ' ' ALA . 1.6 mp0 -61.49 -36.35 80.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -72.39 -24.58 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.375 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -82.59 -36.77 25.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.546 HG12 HG23 ' B' ' 42' ' ' THR . 70.6 mt -74.59 -45.68 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -117.87 100.26 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.1 -35.72 71.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.454 -170.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.77 118.24 12.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.149 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -99.7 0.01 41.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 0.0 110.118 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.79 131.08 38.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.838 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -82.64 77.99 9.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.5 pt? -84.89 122.4 29.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.149 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -151.72 152.51 32.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.12 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -131.29 -34.78 1.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 168.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HB3' ' H ' ' A' ' 80' ' ' HIS . 4.7 t60 52.78 -89.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.854 0.862 . . . . 0.0 112.172 173.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' H ' ' HB3' ' A' ' 79' ' ' HIS . 84.8 t60 -66.3 107.0 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' C ' ' H ' ' A' ' 83' ' ' HIS . 60.3 t60 -106.57 156.25 18.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -73.65 31.07 0.07 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 81' ' ' HIS . 55.8 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.248 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.445 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 21.6 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.05 0.452 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 4.0 Cg_exo -75.91 84.93 1.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.899 2.399 . . . . 0.0 112.386 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -72.28 -80.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.2 mt -117.13 5.3 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 m -99.2 109.53 22.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.156 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.433 ' HG3' ' CD2' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -98.57 -11.9 21.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.433 ' CD2' ' HG3' ' B' ' 6' ' ' ARG . 92.9 m-85 -124.87 156.73 37.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.389 172.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.704 ' HB3' ' HG2' ' B' ' 11' ' ' GLN . 30.3 t -60.72 133.54 56.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.346 0.593 . . . . 0.0 111.453 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.82 -31.27 71.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.856 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' B' ' 13' ' ' GLU . 43.3 mt-10 -72.84 -25.96 61.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.799 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.704 ' HG2' ' HB3' ' B' ' 8' ' ' SER . 15.8 mm-40 -65.35 -47.5 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -49.09 84.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.832 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 10' ' ' GLU . 30.3 tp10 -53.22 -52.43 58.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.544 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -45.83 89.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.767 -176.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 36' ' ' VAL . 5.4 mp -57.12 -43.9 82.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.633 176.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.9 84.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.389 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HG23 ' B' ' 22' ' ' VAL . 43.1 mt-10 -70.5 -37.51 74.2 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.39 -41.69 96.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.595 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.84 -32.21 71.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.309 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 51.0 t30 -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 68.0 t -55.51 -42.46 68.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.277 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.346 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.1 -25.38 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' B' ' 22' ' ' VAL . 8.1 mtmp? -76.91 -2.01 31.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.086 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.81 -35.19 2.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.427 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 55.88 50.57 13.73 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.847 0.832 . . . . 0.0 109.825 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -78.34 155.4 79.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.005 -176.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.01 156.5 54.3 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.72 2.28 . . . . 0.0 112.229 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -54.81 -35.9 64.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.985 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.34 -56.36 20.97 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.08 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' B' ' 28' ' ' ALA . 48.4 tp -65.34 -35.98 82.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.558 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.61 -50.85 72.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.797 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.87 -33.06 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.34 -46.75 88.8 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 15' ' ' LEU . 96.2 t -68.73 -50.0 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.694 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.86 -43.62 81.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.81 -50.49 66.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.417 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.39 70.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.564 0.221 . . . . 0.0 110.79 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.6 -54.81 42.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.464 HG22 HD13 ' A' ' 37' ' ' LEU . 58.5 t -62.24 -46.51 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 69' ' ' ILE . 91.0 m -58.01 -52.96 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.471 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.82 -42.94 97.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.83 -53.11 57.0 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.165 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.18 -45.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.138 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -68.61 -24.06 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -104.68 5.21 33.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.95 -175.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -118.53 -50.43 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.672 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.57 HD13 HD11 ' B' ' 57' ' ' ILE . 17.1 tt -111.23 163.1 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.89 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.92 137.48 45.73 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.628 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' B' ' 54' ' ' ARG . 24.2 Cg_exo -64.22 -1.06 3.29 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.548 2.832 . . . . 0.0 113.06 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.42 28.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -99.17 -7.83 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.575 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 51' ' ' PRO . 31.5 ptt180 -57.78 -39.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -173.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.21 -34.7 49.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.377 . . . . 0.0 110.216 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -43.12 87.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 49' ' ' ILE . 72.1 mt -63.7 -38.67 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.05 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.584 ' HB1' HE21 ' A' ' 66' ' ' GLN . . . -58.18 -46.47 85.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.859 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' ARG . 93.5 m-20 -60.35 -45.03 94.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.375 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.08 -41.64 97.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.109 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.74 89.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.564 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 59' ' ' ASN . 48.8 mtp85 -61.06 -37.44 82.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.01 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.66 -46.35 47.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -66.47 -24.59 66.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 p -87.48 -25.65 23.61 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.541 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.8 p -87.48 -37.89 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.991 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.721 HG12 HD21 ' A' ' 46' ' ' ASN . 56.5 mt -78.45 117.99 24.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.8 t30 65.05 75.93 0.35 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 -176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -84.12 103.29 13.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.81 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.81 -65.72 0.1 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.042 -172.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 tttp 68.49 5.98 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.977 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.8 90.19 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.296 0.569 . . . . 0.0 109.595 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -80.07 90.74 5.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.756 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.756 HD23 ' H ' ' B' ' 76' ' ' LEU . 2.0 pt? -72.84 110.76 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 110.264 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.08 115.1 26.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.94 64.85 1.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.18 -37.97 87.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -96.58 124.4 40.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 167.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -71.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -146.53 15.55 1.27 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 168.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.15 -177.529 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 121.006 0.431 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -92.67 147.31 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.92 2.414 . . . . 0.0 112.964 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -137.83 117.92 13.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 4' ' ' ILE . 1.6 pp -113.43 137.25 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.915 0.864 . . . . 0.0 113.238 -172.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 m -148.05 87.79 1.63 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 171.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -101.43 75.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.71 0.766 . . . . 0.0 112.078 -163.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -96.0 33.23 1.74 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.891 165.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t 66.02 94.29 0.06 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.697 -168.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.41 -26.53 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.238 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.11 -32.37 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.99 -39.88 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.368 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 HG13 HG22 ' B' ' 36' ' ' VAL . 97.9 t -54.99 -48.76 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.334 177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.73 -27.46 60.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.211 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.32 -51.97 31.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 56.8 tp -59.81 -45.64 91.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.62 -43.14 99.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.031 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.76 93.43 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.803 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.3 mt-10 -61.06 -46.17 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.303 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 96.6 mt -63.44 -45.28 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.65 -37.12 84.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 39.8 t30 -60.9 -45.94 92.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' B' ' 22' ' ' VAL . 85.6 t -58.6 -40.85 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.942 0.401 . . . . 0.0 110.554 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.73 -48.71 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.12 -18.03 64.52 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 29.1 mtpp -74.79 -23.03 58.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.341 . . . . 0.0 110.74 176.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.2 m-70 -106.77 -41.02 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.547 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 62.27 97.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.954 0.784 . . . . 0.0 111.602 -177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -124.96 157.71 65.67 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.146 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.35 145.47 35.94 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.84 2.36 . . . . 0.0 112.562 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 3.6 m -56.95 -44.69 82.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.267 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -71.48 -31.9 67.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 28' ' ' ALA . 10.3 tt -70.11 -39.34 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -62.44 -36.55 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' THR . 96.1 mt -63.32 -38.94 93.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.341 175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ttt -64.08 -45.18 89.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 HG13 ' B' ' 12' ' ' VAL . 99.7 t -60.2 -56.76 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 41' ' ' VAL . 99.4 mt -62.02 -42.4 99.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.03 61.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.212 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.14 -46.45 89.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.561 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -57.43 -51.12 70.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 92.4 t -64.81 -40.64 89.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -57.89 -50.57 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 110.516 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.19 -46.37 90.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.252 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.13 -55.72 27.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.219 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.839 HG23 HD12 ' A' ' 49' ' ' ILE . 69.0 mt -63.89 -44.61 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.314 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -74.63 -12.94 60.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.872 -171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.3 p -114.71 -33.92 5.34 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.5 m -103.74 1.79 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.839 HD12 HG23 ' A' ' 45' ' ' ILE . 53.6 mt -120.28 130.36 74.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -49.2 130.19 16.6 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.421 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . 57.8 Cg_exo -53.68 -23.17 25.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.595 2.863 . . . . 0.0 113.409 -176.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.32 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.07 0.462 . . . . 0.0 111.27 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -115.03 -1.23 13.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.188 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 51' ' ' PRO . 38.8 ptt85 -54.74 -42.68 71.9 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.831 0.348 . . . . 0.0 111.513 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 46.7 tt0 -77.88 -36.23 49.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.405 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.96 77.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.534 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.14 -48.3 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.556 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -37.57 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 57.5 t30 -68.45 -48.65 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.547 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 p -64.95 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.0 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.337 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.83 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.769 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 59' ' ' ASN . 9.9 mmt180 -63.3 -40.61 97.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.686 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.711 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.57 -57.17 13.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.033 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.57 -35.92 77.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -77.11 -12.21 59.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.1 m -86.88 -29.8 21.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.81 0.338 . . . . 0.0 110.316 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt -88.23 81.77 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -127.74 28.43 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.709 -174.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' HB2' ' NH2' ' B' ' 54' ' ' ARG . 44.6 mt-10 -75.1 -13.05 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.465 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -76.13 -175.49 3.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -135.31 156.54 48.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.964 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.22 -171.83 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.146 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -83.37 16.41 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.436 0.636 . . . . 0.0 110.38 -178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -149.89 106.14 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.185 173.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.49 172.89 13.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.625 -177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -134.83 124.57 25.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -98.87 9.15 44.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.752 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -130.64 146.23 52.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.028 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -126.58 100.69 6.33 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -94.15 135.71 35.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.443 . . . . 0.0 111.608 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.502 -0.761 . . . . 0.0 108.978 170.876 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.413 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 27.1 ptt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.639 0.256 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.7 Cg_exo -77.78 -48.58 0.1 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.856 2.371 . . . . 0.0 111.982 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 54.15 75.04 0.3 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 13.1 tt -93.5 121.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.0 110.345 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -76.4 125.48 29.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.954 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -71.96 -29.87 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.398 . . . . 0.0 109.938 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -59.63 122.65 14.62 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' B' ' 11' ' ' GLN . 20.0 m -51.53 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.628 0.58 . . . . 0.0 111.303 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.85 -48.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.37 -26.29 62.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.35 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' B' ' 8' ' ' SER . 26.1 tp60 -75.91 -47.72 24.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.992 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 36' ' ' VAL . 69.1 t -64.03 -42.66 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.034 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -53.94 -50.91 65.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.246 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.78 -44.48 96.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.538 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 36' ' ' VAL . 24.6 tp -65.81 -39.4 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.718 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.8 mt -57.01 -54.85 42.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.038 0.447 . . . . 0.0 110.506 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.78 94.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.087 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 22' ' ' VAL . 21.3 tt0 -66.84 -47.59 71.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.9 -44.55 96.57 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.863 0.363 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' B' ' 24' ' ' GLU . 54.8 tp -63.83 -38.79 92.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.365 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 9.7 t30 -63.7 -44.49 93.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.251 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.754 HG21 HG21 ' A' ' 22' ' ' VAL . 95.3 t -60.92 -40.35 85.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.806 179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 15' ' ' LEU . 6.9 tt -70.84 -40.71 72.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 20' ' ' LEU . 0.8 OUTLIER -57.99 -34.81 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.669 -179.535 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 28.4 mtpp -55.82 -34.74 65.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.36 . . . . 0.0 111.648 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.91 -35.46 14.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.141 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 62.27 92.15 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.678 0.611 . . . . 0.0 110.711 -173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.6 138.77 21.59 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.52 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.94 147.8 40.96 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.002 2.468 . . . . 0.0 111.908 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -53.62 -42.83 68.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -68.96 -36.61 78.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.804 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 12' ' ' VAL . 61.2 tp -73.49 -39.24 65.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.466 177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.0 t -58.15 -49.97 75.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.32 -31.04 71.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.64 -45.91 84.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.211 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 12' ' ' VAL . 98.3 t -68.22 -53.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.768 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.457 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.1 mt -58.19 -43.88 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.96 -45.32 95.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.292 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.96 -44.78 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.042 0.449 . . . . 0.0 109.845 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.61 -48.51 80.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.123 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 37' ' ' LEU . 99.2 t -62.85 -40.96 90.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -57.61 -47.09 83.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.47 ' O ' HG22 ' B' ' 47' ' ' THR . 12.6 m120 -58.63 -48.3 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.77 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.58 -53.51 55.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.001 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.504 ' HA ' HD12 ' B' ' 49' ' ' ILE . 64.1 mt -68.76 -35.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.847 0.356 . . . . 0.0 111.272 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.786 ' HA ' ' HD2' ' B' ' 54' ' ' ARG . 6.0 t30 -73.02 -40.45 65.15 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -172.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.47 HG22 ' O ' ' B' ' 43' ' ' ASN . 12.1 t -112.27 -35.78 5.5 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 119.815 -0.754 . . . . 0.0 112.731 -175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.7 t -80.27 -10.3 59.75 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.939 -0.476 . . . . 0.0 110.6 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 45' ' ' ILE . 31.1 mt -116.57 160.16 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -55.2 129.93 68.2 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 111.526 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.586 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 53.2 Cg_exo -52.77 -57.53 2.01 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 123.553 2.835 . . . . 0.0 114.12 -173.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -30.29 70.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -102.19 1.33 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' B' ' 46' ' ' ASN . 28.2 ptt-85 -66.75 -28.72 68.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.982 -175.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.31 -38.14 78.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.775 0.322 . . . . 0.0 110.885 177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.77 63.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.839 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.437 HD12 HG21 ' B' ' 49' ' ' ILE . 67.9 mt -63.6 -35.57 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.621 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.51 91.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.551 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.87 -38.84 79.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 45.3 m -61.67 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.51 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.82 -46.91 76.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.121 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.2 80.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.131 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' B' ' 63' ' ' ARG . 8.0 tpt180 -60.06 -37.87 81.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.666 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.19 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.988 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.6 -49.71 70.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -68.73 -18.72 64.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.415 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 29.2 m -78.87 -18.66 53.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.039 175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -97.69 -55.52 2.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.142 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.65 85.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.242 0.544 . . . . 0.0 109.979 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.509 ' N ' HD22 ' B' ' 70' ' ' ASN . 0.1 OUTLIER -156.69 26.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.531 -177.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -80.16 60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.198 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -94.54 174.52 7.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.416 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -82.5 162.16 22.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.547 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.18 169.99 11.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.842 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -89.31 5.04 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 0.0 110.473 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.84 159.39 43.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.479 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.548 0.69 . . . . 0.0 111.167 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -84.85 75.65 10.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 109.89 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' B' ' 80' ' ' HIS . 0.3 OUTLIER -56.47 126.74 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.611 -178.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' B' ' 79' ' ' HIS . 19.3 m80 72.03 105.61 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.334 -175.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -59.01 128.42 37.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.187 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -72.26 108.84 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.427 -171.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.23 128.31 14.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.819 2.346 . . . . 0.0 112.834 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -136.04 138.32 42.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.593 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.47 -67.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -179.62 150.2 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.465 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -96.28 73.6 2.88 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.84 143.59 9.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.31 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -49.72 113.92 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.359 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.25 -39.73 79.93 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.01 -46.58 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.784 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.71 -46.94 80.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.102 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.53 -40.98 85.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.57 -39.86 95.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 7.2 tp60 -63.56 -50.54 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.218 177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.2 -43.09 87.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.17 -46.5 89.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.494 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.78 92.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' VAL . 47.4 mt-10 -63.85 -52.16 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.572 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.89 -38.21 85.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.719 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.58 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.644 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' ' HD2' ' A' ' 26' ' ' HIS . 83.2 t -59.78 -48.58 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.92 -48.6 81.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.772 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.87 -42.79 98.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.532 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.6 -44.46 85.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.393 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 58.3 m-70 -86.12 -29.88 22.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.674 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 27' ' ' LYS . 15.3 mtpt 63.21 97.81 0.04 OUTLIER 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.845 0.716 . . . . 0.0 111.348 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.96 130.79 24.64 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.983 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.3 155.8 33.51 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.617 2.211 . . . . 0.0 111.818 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -53.47 -41.3 66.04 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.333 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.19 -52.85 63.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.178 0.513 . . . . 0.0 110.631 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 64.0 tp -62.81 -42.64 99.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.61 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.9 t -56.48 -52.89 63.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.48 -35.23 79.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttp -69.11 -42.45 76.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.713 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' LEU . 85.9 t -65.95 -48.62 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.479 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.4 mt -59.33 -43.25 92.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.516 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.94 95.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.305 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -64.06 -39.47 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.098 0.475 . . . . 0.0 109.851 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.9 -52.58 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.907 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 37' ' ' LEU . 87.1 t -57.96 -44.01 85.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.403 HG23 HG12 ' B' ' 69' ' ' ILE . 86.2 m -54.79 -54.59 40.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -63.02 -38.05 89.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.346 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.34 -47.34 85.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.599 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 67.1 mt -71.3 -27.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.631 HD21 HG23 ' B' ' 69' ' ' ILE . 11.4 m120 -81.45 -20.54 40.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.149 -0.345 . . . . 0.0 111.882 -178.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -103.22 -55.23 2.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.8 p -84.4 -33.6 23.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.747 0.308 . . . . 0.0 111.47 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 45' ' ' ILE . 50.2 mm -86.71 143.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -60.05 122.17 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.805 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 50.0 Cg_exo -55.52 -23.06 37.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.467 2.778 . . . . 0.0 112.978 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.27 70.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.639 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -120.04 15.1 12.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.708 0.29 . . . . 0.0 111.734 -175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.698 ' NH2' ' HA ' ' B' ' 71' ' ' GLU . 15.8 ptt180 -60.78 -26.7 67.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.661 0.267 . . . . 0.0 111.5 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -70.68 -32.94 70.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.165 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -44.61 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.459 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.35 -45.01 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.268 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HB1' HE22 ' B' ' 66' ' ' GLN . . . -57.11 -47.61 80.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -62.92 -46.28 88.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.572 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 50.2 m -60.14 -38.28 82.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.373 -178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.68 -41.02 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.224 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -46.7 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.179 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -63.5 -39.72 95.18 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.784 178.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.05 76.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 69' ' ' ILE . 57.8 tp -57.98 -54.2 49.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.877 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.16 -37.05 76.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.603 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -81.5 -27.9 34.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.299 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -69.66 -25.18 63.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.172 0.511 . . . . 0.0 109.813 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.734 HG12 HD21 ' B' ' 46' ' ' ASN . 70.0 mt -69.75 98.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.292 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -123.45 179.68 4.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.736 ' HB2' HH22 ' B' ' 54' ' ' ARG . 39.9 tt0 -147.23 -69.54 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.902 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.15 156.84 18.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.0 111.302 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -95.48 168.67 10.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.319 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.53 98.26 6.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -92.34 75.54 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.56 111.56 20.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.759 -177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -87.23 144.57 26.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.854 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -131.78 -76.72 0.51 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -107.0 -26.29 11.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -114.71 150.87 34.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -87.38 -58.89 2.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.084 174.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 57.57 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.075 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.0 178.063 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -46.32 -69.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.319 2.679 . . . . 0.0 113.247 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 70.57 -51.4 0.66 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.722 0.639 . . . . 0.0 112.013 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 66.7 mt 71.34 -76.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.318 0.647 . . . . 0.0 111.228 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -156.74 157.18 34.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.775 0.321 . . . . 0.0 110.619 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -107.62 -66.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.326 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 63.19 176.85 0.15 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.199 -175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -82.48 121.26 26.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -56.0 -34.98 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 15.5 mp0 -59.83 -39.23 84.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.653 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 9.3 tt0 -69.92 -48.51 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 109.942 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.88 -45.79 92.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.611 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 26' ' ' HIS . 41.3 tt0 -63.63 -41.06 98.3 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.302 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 11' ' ' GLN . 90.0 mt -56.52 -54.77 41.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.284 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 63.8 tp -58.34 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.87 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.25 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.659 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.434 ' O ' HG23 ' B' ' 22' ' ' VAL . 27.0 tt0 -75.88 -35.42 59.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.603 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -45.87 86.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 110.271 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 16' ' ' LEU . 97.7 mt -62.06 -35.58 79.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.198 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.87 -35.92 77.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.764 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.462 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 86.1 t -63.49 -47.65 90.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.423 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.66 -40.18 94.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.3 -35.16 78.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.977 0.418 . . . . 0.0 110.635 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 16.4 ttmm -51.71 -39.34 58.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.511 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -117.29 -3.71 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.825 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 53.34 90.7 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . . . -102.33 122.92 44.91 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.091 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 35.6 Cg_exo -60.98 153.34 64.58 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.696 2.264 . . . . 0.0 111.997 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -58.73 -39.79 81.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.03 -45.15 83.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.172 0.51 . . . . 0.0 110.246 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.22 -40.4 74.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.804 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -58.37 -43.24 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.622 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.47 -37.61 87.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 110.585 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.89 -48.21 79.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.86 -53.64 32.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.3 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.42 -36.77 83.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.842 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.48 -48.29 85.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.988 177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.8 -43.9 94.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.444 . . . . 0.0 110.417 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -58.01 -50.16 74.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.15 -41.29 91.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.933 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.3 m -57.9 -49.6 76.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.332 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' B' ' 47' ' ' THR . 14.3 t30 -64.73 -35.04 79.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 110.615 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -65.74 -53.69 37.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.995 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' B' ' 54' ' ' ARG . 56.1 mt -69.74 -39.63 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.734 HD21 HG12 ' A' ' 69' ' ' ILE . 32.7 m-80 -78.43 -34.13 48.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' B' ' 43' ' ' ASN . 90.0 m -105.74 -35.87 7.23 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -171.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -96.39 -18.21 20.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.174 -174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' B' ' 45' ' ' ILE . 50.9 mt -108.39 153.88 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.98 118.63 12.36 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 123.388 0.43 . . . . 0.0 110.885 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.567 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 12.0 Cg_endo -57.14 -30.15 86.01 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.243 2.628 . . . . 0.0 113.734 -173.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.07 69.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.758 0.313 . . . . 0.0 111.794 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -102.38 3.0 37.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.369 -175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.736 HH22 ' HB2' ' A' ' 71' ' ' GLU . 20.1 ptt-85 -69.74 -27.74 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.559 -173.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -70.7 -48.81 52.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.455 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.12 93.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.373 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.45 HD12 HG21 ' B' ' 49' ' ' ILE . 72.9 mt -66.9 -40.87 86.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.946 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.3 89.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.784 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.5 -38.98 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.486 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -65.14 -37.64 88.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.309 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -63.74 -45.67 88.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.162 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 66' ' ' GLN . . . -60.04 -44.79 94.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.676 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -62.35 -42.71 99.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.965 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.48 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.43 -31.78 73.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.416 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.642 HE22 ' HB1' ' A' ' 58' ' ' ALA . 25.0 mm-40 -76.43 -24.92 53.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.5 p -87.76 -27.52 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.207 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 33.5 p -77.92 -41.72 35.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.631 HG23 HD21 ' A' ' 46' ' ' ASN . 69.1 mt -79.07 99.91 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.098 0.475 . . . . 0.0 110.409 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -117.44 154.61 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.926 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.698 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -71.42 -71.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.755 178.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -152.71 -170.46 3.64 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 130.6 54.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 137.65 58.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 111.582 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.31 94.3 9.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 81.2 mt -95.25 117.39 30.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 -175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -111.94 95.18 5.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.31 -69.36 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.032 0.444 . . . . 0.0 110.058 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -168.62 -40.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -77.84 97.92 5.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.25 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -71.27 132.56 45.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.239 -173.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -95.91 -71.39 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.17 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 42.3 t60 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.46 179.633 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.3 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 16.5 Cg_exo -69.11 -164.55 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.785 2.323 . . . . 0.0 112.166 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 2' ' ' PRO . 54.0 mt-30 74.81 -35.01 0.28 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.52 0.728 . . . . 0.0 111.877 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 tt -67.1 -11.03 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.297 0.57 . . . . 0.0 110.953 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m -57.29 130.09 44.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.079 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -68.02 -47.1 69.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 70.3 m-85 -94.93 171.19 8.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.947 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -67.01 143.41 56.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.511 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.09 -25.58 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.05 -52.78 59.81 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 109.572 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 69.2 mt-30 -68.26 -46.38 70.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.908 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.79 -58.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.8 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.78 -29.77 61.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -171.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.05 -39.77 75.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.418 . . . . 0.0 110.047 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 36' ' ' VAL . 55.2 tp -66.07 -45.11 82.47 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.65 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.09 85.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.59 -178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 23.0 tt0 -71.25 -39.62 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.919 -177.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.76 -46.86 88.81 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.47 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.68 -40.14 94.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.211 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.85 -43.49 73.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 18' ' ' GLU . 76.2 t -59.17 -50.64 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.13 -39.08 93.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.126 -178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.76 -29.95 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.492 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -67.31 -34.37 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.295 0.569 . . . . 0.0 109.621 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 88.9 m-70 -90.91 -10.71 41.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.421 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 57.8 41.44 24.94 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.606 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . . . -64.02 135.93 96.52 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.929 -173.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 28' ' ' ALA . 32.0 Cg_exo -60.48 148.94 89.1 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.943 2.428 . . . . 0.0 111.898 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 m -59.09 -43.04 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.172 0.51 . . . . 0.0 110.755 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.79 -43.72 95.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.1 -39.05 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.406 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.12 -46.32 91.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.13 -35.1 80.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.737 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.87 -47.23 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.01 -48.14 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.807 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 41' ' ' VAL . 88.8 mt -59.59 -42.12 91.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.254 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.11 -48.21 84.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.983 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -63.24 -45.46 91.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 ttt -54.83 -49.47 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' LEU . 94.9 t -66.45 -46.15 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.764 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.7 m -57.38 -48.71 78.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.23 -44.69 95.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.698 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.41 -48.09 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.855 ' HA ' HD13 ' A' ' 49' ' ' ILE . 70.0 mt -64.15 -36.94 78.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.43 -178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -81.36 -15.5 55.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -104.13 -49.64 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.763 0.316 . . . . 0.0 111.783 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 m -84.11 -32.47 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.213 -175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.855 HD13 ' HA ' ' A' ' 45' ' ' ILE . 3.2 mp -95.1 142.23 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -59.49 138.4 89.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.231 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 50.0 Cg_exo -55.13 -21.85 29.42 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.405 2.737 . . . . 0.0 113.614 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.89 -10.02 51.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.62 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' ILE . 94.7 mt-30 -109.35 -22.77 11.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 0.0 111.265 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.699 ' HB2' HD11 ' B' ' 69' ' ' ILE . 29.3 ptt180 -53.42 -42.52 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -71.4 -35.55 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.024 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.59 76.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.308 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 53' ' ' GLN . 44.0 mm -64.46 -43.77 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.7 90.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ARG . 14.2 m-80 -64.95 -35.85 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.087 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.5 m -67.01 -46.03 75.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.82 -47.93 84.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.437 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.97 85.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.999 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -65.05 -51.81 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.215 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.31 88.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.046 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.65 -52.76 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.964 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -71.05 -16.74 62.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.626 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.3 m -85.33 -34.44 21.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.874 0.369 . . . . 0.0 110.505 178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 m -86.03 -14.17 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.329 -177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.765 HG13 HD21 ' B' ' 46' ' ' ASN . 15.1 tt -88.06 10.92 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.759 0.79 . . . . 0.0 110.023 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -98.71 115.85 29.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.512 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -83.47 104.48 13.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 173.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.64 -36.52 21.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.818 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -77.3 96.71 4.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.624 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.09 143.71 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.015 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.77 159.93 23.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.7 mt 63.72 -151.08 0.32 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.739 0.649 . . . . 0.0 109.607 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.93 138.81 52.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.784 0.326 . . . . 0.0 110.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -77.68 74.78 4.24 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m80 65.19 -87.02 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.357 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -173.06 130.86 0.49 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -120.76 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.806 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 12.58 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.943 1.402 . . . . 0.0 113.555 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.54 175.604 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.44 ' HD2' ' OE1' ' B' ' 3' ' ' GLN . 20.2 Cg_exo -67.45 -20.92 47.5 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.351 2.034 . . . . 0.0 111.334 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.44 ' OE1' ' HD2' ' B' ' 2' ' ' PRO . 23.5 mp0 -78.33 83.89 4.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.5 pt -111.0 36.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 170.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -60.99 107.18 0.68 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.677 -171.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -82.72 -27.23 31.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 166.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -99.95 -170.68 1.92 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.857 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.565 ' HB3' ' HB2' ' B' ' 11' ' ' GLN . 22.9 t -85.34 138.11 32.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.716 -178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.24 -64.17 0.87 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.896 0.478 . . . . 0.0 111.927 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.79 -23.83 67.36 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.637 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 59.1 tt0 -66.12 -43.73 86.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.008 0.432 . . . . 0.0 110.133 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.24 -45.06 87.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.12 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -37.45 81.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.513 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -56.93 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.8 mm? -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.031 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.11 -47.56 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.92 94.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.502 ' O ' HG23 ' B' ' 22' ' ' VAL . 53.3 mt-10 -68.84 -33.59 74.07 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 15' ' ' LEU . 88.2 mt -67.2 -46.53 73.61 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.057 0.456 . . . . 0.0 110.067 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.77 -33.75 76.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.44 -45.7 90.84 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.715 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.6 t -59.32 -40.03 80.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.824 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.54 -49.49 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 34.0 tt0 -74.16 -21.25 59.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.89 -177.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -71.66 -26.45 62.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -104.42 -29.29 10.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.439 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' B' ' 24' ' ' GLU . 14.0 mptt 63.91 81.5 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.475 0.484 . . . . 0.0 109.718 -169.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.475 ' HB1' HD23 ' B' ' 32' ' ' LEU . . . -117.09 147.47 40.32 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.973 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 28' ' ' ALA . 16.9 Cg_exo -67.72 156.47 65.86 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.848 2.365 . . . . 0.0 112.356 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m -59.33 -39.11 82.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.065 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.92 -49.54 75.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.18 0.514 . . . . 0.0 110.346 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.475 HD23 ' HB1' ' B' ' 28' ' ' ALA . 59.0 tp -63.5 -42.79 98.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' B' ' 37' ' ' LEU . 24.2 m -58.78 -49.07 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.666 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.09 -43.21 99.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.043 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 28.1 ttt -59.52 -47.04 87.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.553 HG21 HD23 ' A' ' 15' ' ' LEU . 93.0 t -67.47 -45.67 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.956 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 33' ' ' SER . 82.9 mt -59.39 -43.36 92.95 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -41.38 97.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.967 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -65.66 -41.0 93.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.509 0.195 . . . . 0.0 110.517 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 36' ' ' VAL . 91.7 mtp -59.39 -50.78 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.719 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.79 -51.14 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.8 m -58.63 -50.21 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.294 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.23 -45.13 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.26 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.064 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.703 ' O ' ' HB ' ' B' ' 49' ' ' ILE . 65.0 mt -73.72 -27.55 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.306 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.765 HD21 HG13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -84.47 -16.28 43.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.093 -0.38 . . . . 0.0 112.022 -178.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 21.9 p -106.08 -60.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -93.26 13.61 20.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ILE . . . . . 0.703 ' HB ' ' O ' ' B' ' 45' ' ' ILE . 47.8 mm -124.28 140.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' B' ' 51' ' ' PRO . . . -52.31 116.9 9.31 Favored Pre-proline 0 C--O 1.234 0.251 0 O-C-N 123.531 0.52 . . . . 0.0 111.824 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.509 ' HA ' ' CG ' ' B' ' 54' ' ' ARG . 32.3 Cg_exo -58.71 -23.19 64.99 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.453 2.768 . . . . 0.0 113.286 -176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.67 -18.11 57.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.454 ' HG2' ' HB3' ' B' ' 50' ' ' ALA . 11.3 pt20 -131.08 7.7 4.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' B' ' 51' ' ' PRO . 0.0 OUTLIER -69.37 -16.6 63.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.487 ' HG3' HH11 ' B' ' 54' ' ' ARG . 90.1 mt-30 -83.38 -32.32 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.902 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.91 94.39 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.06 -45.06 96.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.102 174.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -37.82 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.962 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.547 ' O ' ' HD3' ' B' ' 63' ' ' ARG . 1.0 OUTLIER -66.38 -50.0 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.733 178.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.3 p -61.37 -35.23 76.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.188 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.17 -48.37 65.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 110.273 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.461 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 59' ' ' ASN . 2.6 mpt_? -68.7 -34.75 76.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.53 90.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.021 0.439 . . . . 0.0 110.5 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.703 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.71 -39.0 92.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.599 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -82.29 -3.62 55.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.705 0.288 . . . . 0.0 111.749 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.5 m -110.31 -15.81 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.926 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 54' ' ' ARG . 18.7 tt -91.15 -27.12 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -76.81 115.23 16.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.83 146.65 25.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.367 0.603 . . . . 0.0 112.037 -174.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 73' ' ' LYS . 20.3 t70 -104.07 -145.18 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 168.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.485 ' H ' ' CG ' ' B' ' 72' ' ' ASP . 67.9 mttm 59.34 76.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 131.92 49.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.114 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -77.1 -6.57 53.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.788 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.16 -69.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' B' ' 78' ' ' HIS . 0.0 OUTLIER -158.09 -59.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.13 168.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.415 ' N ' ' HG2' ' B' ' 77' ' ' GLU . 90.5 m-70 -156.6 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -150.1 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -74.09 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -124.85 77.64 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.96 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -175.87 135.41 0.29 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.702 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.953 175.69 . . . . . . . . 0 0 . 1 stop_ save_